SCHEMBL1656302

SCHEMBL1656302

Cc1cc(C)c(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
HPSE Q9Y251 1/20 0.43
KDM4E B2RXH2 2/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AR P10275 1/20 0.41
PYGM P11217 3/20 0.41
PYGL P06737 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
APEX1 P27695 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL1656305 0.87 ALDH1A1 (0.50) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL522566 0.87 POLB (0.54) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL8656957 0.86 ALDH1A1 (0.49) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL8473495 0.85 ALDH1A1 (0.45) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL9847756 0.83 ALDH1A1 (0.49) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL9847786 0.83 ALDH1A1 (0.49) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL9460906 0.82 ALDH1A1 (0.45) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL9128419 0.82 ALDH1A1 (0.45) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL28396247 0.81 ALDH1A1 (0.47) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL9460845 0.81 ALDH1A1 (0.44) ALDH1A1POLBTDP1HPSEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103382216-B Make the Cyanoisoquinoline compound that hypoxia inducible factor (HIF) is stable FIBROGEN INC. (US) 2016-04-20 CN disclosed
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2016-01-14 US disclosed
US-9174976-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2015-11-03 US disclosed
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2015-01-29 US disclosed
US-8759373-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2014-06-24 US disclosed
EP-2476669-A1 Cyanoisoquinoline compounds and methods of use thereof Fibrogen, Inc. (US) 2012-07-18 EP disclosed
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2012-07-12 US disclosed
EP-2044028-B1 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN INC (US) 2012-05-16 EP disclosed
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof FIBROGEN, INC. 2011-09-01 US disclosed
US-7928120-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2011-04-19 US disclosed
EP-2044028-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2009-04-08 EP disclosed
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 US disclosed
WO-2007090068-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2007-08-09 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 (5 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-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1436/4885POLB 2536/4885TDP1 4029/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885POLB 1171/4885TDP1 4201/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885POLB 1171/4885TDP1 4201/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885POLB 1171/4885TDP1 4201/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885POLB 1171/4885TDP1 4201/4885

“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.