SCHEMBL8131306

SCHEMBL8131306

CCOc1cc(OC)c2cccc(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.43
KDM4E B2RXH2 3/20 0.41
NR4A2 P43354 2/20 0.40
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.39
NQO2 P16083 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CCR4 P51679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
G6PD P11413 1/20 0.37

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
SCHEMBL13763738 0.91 ALDH1A1 (0.43) NR4A2KLK7KLK14KLK5ALDH1A1
SCHEMBL13201932 0.87 KDM4E (0.47) KDM4EALDH1A1POLBNQO2MAPT
SCHEMBL13757342 0.86 KDM4E (0.50) CRHR1KDM4ENR4A2ALDH1A1NQO2
SCHEMBL13757461 0.86 NR4A2 (0.38) KDM4ENR4A2ALDH1A1POLBLMNA
SCHEMBL13763686 0.86 ALDH1A1 (0.44) CRHR1KDM4ENR4A2ALDH1A1POLB
SCHEMBL13385166 0.85 NR4A2 (0.42) NR4A2ALDH1A1POLBKMT2AMAPT
SCHEMBL8142999 0.84 MAPT (0.49) CRHR1KDM4EALDH1A1POLBNQO2
SCHEMBL13763664 0.84 HPGD (0.40) CRHR1KDM4ENR4A2ALDH1A1POLB
SCHEMBL13763607 0.84 ALDH1A1 (0.42) KDM4ENR4A2KLK7KLK14KLK5
SCHEMBL13763563 0.83 PDE10A (0.43) KDM4EALDH1A1POLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 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 (3 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP CRHR1 1607/4885KDM4E 3511/4885NR4A2 1614/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CRHR1 4587/4885KDM4E 2496/4885NR4A2 3771/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CRHR1 4587/4885KDM4E 2496/4885NR4A2 3771/4885

“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.