SCHEMBL120304

SCHEMBL120304

CC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX5 P09917 7/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
ANO1 Q5XXA6 3/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 1/20 0.47

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
SCHEMBL3924371 0.91 RAB9A (0.61) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL1918164 0.87 RAB9A (0.60) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL2294314 0.86 MEN1 (0.62) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL1918642 0.85 RAB9A (0.52) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL1918033 0.82 ALOX5 (0.79) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL29014570 0.82 ALOX5 (0.53) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL30482819 0.82 ALOX5 (0.53) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL10240097 0.81 ANO1 (0.53) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL13457640 0.78 CYP3A4 (0.52) RAB9AKDM4EHSD17B10ALDH1A1ALOX5
SCHEMBL27956587 0.77 KDM4E (0.51) RAB9AKDM4EHSD17B10ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 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-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RAB9A 2224/4885KDM4E 4218/4885HSD17B10 600/4885
US-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RAB9A 2224/4885KDM4E 4218/4885HSD17B10 600/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RAB9A 2224/4885KDM4E 4218/4885HSD17B10 600/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 RAB9A 2224/4885KDM4E 4218/4885HSD17B10 600/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RAB9A 2224/4885KDM4E 4218/4885HSD17B10 600/4885

“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.