SCHEMBL10059871

SCHEMBL10059871

O=c1ccc(-c2cccc(CO)c2)cn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.47
COMT P21964 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRKCI P41743 1/20 0.43
CFTR P13569 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
CDK1 P06493 1/20 0.42
SRC P12931 1/20 0.42
ABL2 P42684 1/20 0.42
IDH1 O75874 2/20 0.41
CYP2C9 P11712 1/20 0.41
NR4A2 P43354 1/20 0.41
KCNH2 Q12809 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL10059890 0.88 PRKCI (0.57) ACMSDPRKCICYP2C9NR4A2KCNH2
SCHEMBL13635445 0.87 CYP2C9 (0.44) ACMSDCOMTKDM4EALDH1A1CYP1A2
SCHEMBL10059857 0.85 KDM4E (0.49) COMTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL10059870 0.81 ABL1 (0.49) ACMSDABL1PDE10A
SCHEMBL10059952 0.81 HSD17B1 (0.48) COMTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL10059882 0.81 MKNK1 (0.48)
SCHEMBL10021078 0.79 ALDH1A1 (0.60) COMTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL147797 0.78 KDM4E (0.55) COMTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL12332881 0.78 ALDH1A1 (0.47) COMTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL10059852 0.78 KDM4E (0.47) COMTKDM4EALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 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 (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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ACMSD 4748/4885COMT 4650/4885KDM4E 3381/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 ACMSD 4702/4885COMT 3394/4885KDM4E 1668/4885

“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.