SCHEMBL1656178

SCHEMBL1656178

CCCCOC(=O)c1[nH]c(=O)c2ccc(Oc3ccc(OCCC)cc3)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
LTA4H P09960 4/20 0.42
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PADI4 Q9UM07 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACB O00763 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
TSHR P16473 1/20 0.39
ESR1 P03372 5/20 0.39
LMNA P02545 1/20 0.39
ACACA Q13085 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SERPINE1 P05121 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
SCHEMBL523585 0.87 ALDH1A1 (0.54) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL8140297 0.84 ALDH1A1 (0.51) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL1656796 0.83 ALDH1A1 (0.44) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL523347 0.81 ALDH1A1 (0.53) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL1656133 0.81 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL8133930 0.79 GPR17 (0.50) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL6061308 0.79 ALDH1A1 (0.75) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL1656336 0.79 ALDH1A1 (0.44) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL522242 0.78 ALDH1A1 (0.57) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL1656282 0.77 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EHTT

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
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
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 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 (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 1436/4885GAA 1410/4885HPGD 60/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885GAA 1191/4885HPGD 134/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885GAA 1191/4885HPGD 134/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885GAA 1191/4885HPGD 134/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 ALDH1A1 1134/4885GAA 1191/4885HPGD 134/4885

“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.