SCHEMBL3859415

SCHEMBL3859415

C#CC(=O)Oc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
ELANE P08246 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP4 Q9UKK3 1/20 0.45

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
SCHEMBL6071880 0.83 LMNA (0.57) THRATHRBLMNACYP1A2CYP2C9
SCHEMBL4544926 0.83 CES2 (0.52) CES2CES1CA1CA2CA12
SCHEMBL8185749 0.81 CES2 (0.50) CES2CES1SMN1; SMN2LMNAPARP1
SCHEMBL6653843 0.81 THRB (0.51) THRATHRBELANESMN1; SMN2LMNA
SCHEMBL27822200 0.80 CA12 (0.52) THRATHRBCA1CA2CA12
SCHEMBL10162631 0.79 KMT2A (0.66) SMN1; SMN2LMNAGAAALDH1A1NPC1
SCHEMBL3864698 0.79 THRA (0.50) THRATHRBELANESMN1; SMN2CYP1A2
SCHEMBL16087039 0.79 THRA (0.50) THRATHRBCES2CES1CA1
SCHEMBL31711461 0.79 THRB (0.50) THRATHRBSMN1; SMN2LMNAPARP10
SCHEMBL10928698 0.79 ELANE (0.50) THRATHRBELANELMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187969-B A kind of preparation method of 4- aryl-coumarin class compound 山东省医学科学院药物研究所 2019-03-26 CN disclosed
CN-106187969-A A kind of preparation method of 4 aryl-coumarin compounds 山东省医学科学院药物研究所 2016-12-07 CN disclosed
CN-104151278-B The synthetic method of 1-phenyl-2,3-naphthalene dicarboxylic acids acid anhydride and derivative thereof SHAANXI NORMAL UNIVERSITY (CN) 2016-04-06 CN disclosed
CN-104151278-A Synthesis method of 1-phenyl-2,3-naphthalene dicarboxylic anhydride and derivatives thereof UNIV SHAANXI NORMAL 2014-11-19 CN disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005056524-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-06-23 WO disclosed
WO-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 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 (2 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 THRA 4493/4885THRB 4060/4885CES2 11/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 THRA 170/4885THRB 141/4885CES2 1637/4885

“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.