SCHEMBL10240097

SCHEMBL10240097

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 9/20 0.53
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 7/20 0.53
HSD17B10 Q99714 4/20 0.53
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RCE1 Q9Y256 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3543307 0.90 KDM4E (0.65) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2294234 0.88 L3MBTL1 (0.55) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2843961 0.87 ANO1 (0.51) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3539261 0.85 KDM4E (0.68) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13980516 0.81 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10RXFP1
SCHEMBL120304 0.81 RAB9A (0.56) ANO1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL3545360 0.79 ANO1 (0.63) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10240860 0.78 ANO1 (0.42) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10240087 0.78 PDK1 (0.39) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3541346 0.78 KDM4E (0.65) ANO1KDM4EALDH1A1HPGDHSD17B10

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 7 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-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-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 (4 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 ANO1 1786/4885KDM4E 4218/4885ALDH1A1 239/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ANO1 1786/4885KDM4E 4218/4885ALDH1A1 239/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 ANO1 1786/4885KDM4E 4218/4885ALDH1A1 239/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ANO1 1786/4885KDM4E 4218/4885ALDH1A1 239/4885

“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.