SCHEMBL10014775

SCHEMBL10014775

CCCC(=O)CCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
IAPP P10997 2/20 0.34
CTSD P07339 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8898363 0.89 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL19931479 0.85 MAPT (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL491385 0.83 KMT2A (0.56) CES2CES1TSHRALDH1A1MAPT
SCHEMBL18085816 0.81 KMT2A (0.59) CES2CES1TSHRALDH1A1MAPT
SCHEMBL8896912 0.81 KMT2A (0.48) CES2CES1TSHRALDH1A1MAPT
SCHEMBL8096567 0.81 KMT2A (0.59) CES2CES1TSHRALDH1A1MAPT
SCHEMBL8897711 0.81 KMT2A (0.59) CES2CES1TSHRALDH1A1MAPT
SCHEMBL12424396 0.81 TDP1 (0.47) CES2CES1FFAR3TSHRALDH1A1
SCHEMBL7028989 0.81 MAPT (0.36) TSHRALDH1A1MAPTKMT2ATDP1
SCHEMBL8897573 0.80 CES2 (0.38) CES2CES1HDAC3HDAC1HDAC2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062721-B HABI photoinitiator capable of improving system stability and application thereof 常州正洁智造科技有限公司 2023-06-30 CN disclosed
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2015-11-05 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-8841306-B2 Antimicrobials PANACEA BIOTEC LTD. (IN) 2014-09-23 US disclosed
EP-2657766-A1 Patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2013-10-30 EP disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8124562-B2 Thermal transfer ink sheet, ink cartridge, coating composition for dye layer of thermal transfer ink sheet, and thermal transfer recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-8114813-B2 Heat transferrable dye in resin containing polyvinyl acetal modified with ketone FUJIFILM CORPORATION (JP) 2012-02-14 US disclosed
US-8114813-B2 Heat transferrable dye in resin containing polyvinyl acetal modified with ketone FUJIFILM CORPORATION (JP) 2012-02-14 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
CN-101889092-A Biofuel production BIO ARCHITECTURE LAB INC 2010-11-17 CN disclosed
US-20090061350-A1 THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-03-05 US disclosed
US-20080242540-A1 THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080242540-A1 THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 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 (6 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-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 CES2 4172/4885CES1 1736/4885HDAC3 578/4885
US-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK1 CES2 3440/4885CES1 1347/4885HDAC3 409/4885
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK3 CES2 3372/4885CES1 1309/4885HDAC3 386/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CES2 1183/4885CES1 956/4885HDAC3 182/4885
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF PBRM1, BRWD1, BRDT CES2 4483/4885CES1 3307/4885HDAC3 259/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 CES2 224/4885CES1 82/4885HDAC3 152/4885

“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.