SCHEMBL855152

SCHEMBL855152

Cc1cccc(C(=O)C(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
KCNK3 O14649 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
KCNH2 Q12809 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
ABCB1 P08183 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10031819 0.87 ACHE (0.52) PARP1HDAC8HDAC6TDP1
SCHEMBL11065475 0.86 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL29429340 0.86 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL16449231 0.84 PARP1 (0.55) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL12164013 0.84 PARP1 (0.60) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL312610 0.82 ACHE (0.62) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL776798 0.81 HDAC8 (0.53) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL29137265 0.80 PARP1 (0.55) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL4434400 0.80 PARP1 (0.55) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL14226767 0.80 DHODH (0.51) HDAC8POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357302-A1 TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2023-11-09 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS PARP1 1381/4885HDAC8 1199/4885HDAC6 1192/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 PARP1 342/4885HDAC8 747/4885HDAC6 673/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT PARP1 2823/4885HDAC8 785/4885HDAC6 331/4885
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 PARP1 2050/4885HDAC8 3870/4885HDAC6 2956/4885
US-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C PARP1 43/4885HDAC8 4749/4885HDAC6 1394/4885
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 PARP1 2034/4885HDAC8 911/4885HDAC6 930/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 PARP1 2112/4885HDAC8 556/4885HDAC6 553/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PARP1 1237/4885HDAC8 536/4885HDAC6 719/4885
US-20230357302-A1 TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF LSS, GALE, CYP4A11 PARP1 3976/4885HDAC8 1292/4885HDAC6 4035/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS PARP1 3841/4885HDAC8 2133/4885HDAC6 1627/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 PARP1 3367/4885HDAC8 535/4885HDAC6 959/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 PARP1 4745/4885HDAC8 1059/4885HDAC6 1499/4885
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 PARP1 4868/4885HDAC8 4432/4885HDAC6 2298/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.