SCHEMBL104474

SCHEMBL104474

CC(C)NC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.59
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 5/20 0.51
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DEGS1 O15121 1/20 0.49
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL8590217 0.89 MLYCD (0.70) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL12089430 0.86 RAB9A (0.50) ALDH1A1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL13753441 0.84 HDAC1 (0.50) ALDH1A1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL27317470 0.84 MLYCD (0.56) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL26814858 0.83 RAB9A (0.49) MLYCDALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL853579 0.83 MLYCD (0.59) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL8185351 0.83 HTT (0.65) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL10052242 0.83 MLYCD (0.63) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL11989527 0.82 MLYCD (0.59) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL11990190 0.81 MLYCD (0.53) MLYCDALDH1A1LMNACYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230068959-A1 BRANCHED MULTI-FUNCTIONAL MACROMONOMERS AND RELATED POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-03-02 US disclosed
US-20230023537-A1 DELIVERY SYSTEMS FOR CONTROLLED DRUG RELEASE LADRX CORPORATION 2023-01-26 US disclosed
US-11384104-B2 Delivery systems for controlled drug release CENTURION BIOPHARMA CORPORATION (US) 2022-07-12 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 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 (12 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 MLYCD 4206/4885ALDH1A1 3128/4885LMNA 3669/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR MLYCD 1422/4885ALDH1A1 4541/4885LMNA 1249/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP MLYCD 713/4885ALDH1A1 1780/4885LMNA 3649/4885
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R MLYCD 3774/4885ALDH1A1 3655/4885LMNA 3279/4885
US-11384104-B2 Delivery systems for controlled drug release ABCB11, SLC10A1, SLC5A1 MLYCD 2352/4885ALDH1A1 830/4885LMNA 3041/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A MLYCD 4645/4885ALDH1A1 4520/4885LMNA 2681/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP MLYCD 713/4885ALDH1A1 1780/4885LMNA 3649/4885
US-20230023537-A1 DELIVERY SYSTEMS FOR CONTROLLED DRUG RELEASE ABCB11, SLC10A1, SLC5A1 MLYCD 2352/4885ALDH1A1 830/4885LMNA 3041/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 MLYCD 2398/4885ALDH1A1 2082/4885LMNA 4498/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 MLYCD 1826/4885ALDH1A1 1882/4885LMNA 2108/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B MLYCD 4511/4885ALDH1A1 4368/4885LMNA 2413/4885
US-20230068959-A1 BRANCHED MULTI-FUNCTIONAL MACROMONOMERS AND RELATED POLYMERS AND USES THEREOF MSN, CAD, NEDD8 MLYCD 771/4885ALDH1A1 469/4885LMNA 398/4885

“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.