SCHEMBL6426977

SCHEMBL6426977

O=C(O)c1ccccc1OCF

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KMT2A Q03164 2/20 0.65
PTK2B Q14289 1/20 0.65
KDM4E B2RXH2 8/20 0.62
HTT P42858 3/20 0.62
HSD17B10 Q99714 6/20 0.55
HPGD P15428 5/20 0.55
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
USP2 O75604 1/20 0.52
PDE3A Q14432 1/20 0.52

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
SCHEMBL28259939 0.98 ALDH1A1 (0.62) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL18700963 0.85 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL31133329 0.85 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL11023511 0.84 ALDH1A1 (0.46) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL633198 0.83 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL29444034 0.83 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30211332 0.83 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2049483 0.83 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL10937345 0.83 DRD2 (0.56) ALDH1A1KMT2APTK2BMAPTRAB9A
SCHEMBL18700982 0.83 FABP3 (0.50) ALDH1A1KMT2APTK2BKDM4EHTT

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-106365978-B A kind of preparation method of the fluoro- 6- methoxy benzoic acid of 2,3- bis- 绍兴上虞华伦化工有限公司 2019-01-11 CN claimed
EP-3359620-B1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PLC (GB) 2022-11-30 EP disclosed
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN disclosed
US-10365262-B2 Method of monitoring a parameter of a hydrocarbon well, pipeline or formation JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-07-30 US disclosed
CN-106164047-B 1,2- substituted cyclopentane as orexin receptor antagonists 武田药品工业株式会社 2019-04-16 CN disclosed
CN-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
CN-106365978-B A kind of preparation method of the fluoro- 6- methoxy benzoic acid of 2,3- bis- 绍兴上虞华伦化工有限公司 2019-01-11 CN disclosed
CN-106365978-B A kind of preparation method of the fluoro- 6- methoxy benzoic acid of 2,3- bis- 绍兴上虞华伦化工有限公司 2019-01-11 CN disclosed
CN-106365978-B A kind of preparation method of the fluoro- 6- methoxy benzoic acid of 2,3- bis- 绍兴上虞华伦化工有限公司 2019-01-11 CN disclosed
US-20180284096-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION TRACERCO LIMITED (GB) 2018-10-04 US disclosed
WO-2017060702-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 US disclosed
EP-1606261-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA Pharma AG (DE) 2005-12-21 EP disclosed
EP-1553929-A2 CONTROLLED RELEASE PREPARATION Takeda Pharmaceutical Company Limited (JP) 2005-07-20 EP disclosed
WO-2004080967-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA PHARMA AG (DE) 2004-09-23 WO disclosed
WO-2004035020-A2 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 WO 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 (1 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-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS LTC4S, CYSLTR2, CYSLTR1 ALDH1A1 2177/4885KMT2A 3738/4885PTK2B 2182/4885

“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.