SCHEMBL883109

SCHEMBL883109

O=C(CCl)c1ccc(Oc2cccc(C(=O)CCl)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.58
PARP15 Q460N3 1/20 0.58
PARP14 Q460N5 1/20 0.58
PARP10 Q53GL7 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
ERCC5 P28715 2/20 0.56
FEN1 P39748 2/20 0.56
AKR1C3 P42330 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.53
GSK3B P49841 2/20 0.53
TRPA1 O75762 1/20 0.53
HIF1A Q16665 1/20 0.53
KMO O15229 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
POLB P06746 2/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 2/20 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
SCHEMBL8548986 0.92 ERCC5 (0.67) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL1593331 0.86 GSK3B (0.67) PARP10ERCC5FEN1ALDH1A1MAPK1
Clofenoxyde SCHEMBL882741 0.86 GSK3B (0.61) PARP15PARP14PARP10ERCC5FEN1
SCHEMBL13071181 0.83 PARP10 (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL203505 0.83 TNKS (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL564383 0.83 PARP10 (0.63) TNKSPARP15PARP14PARP10TNKS2
Hydrochloric Acid SCHEMBL563830 0.82 PARP10 (0.61) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL2379240 0.79 CES2 (0.65) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL15756687 0.79 GSK3B (0.77) PARP15PARP14PARP10ERCC5FEN1
SCHEMBL11375341 0.78 ERCC5 (0.54) TNKSPARP15PARP14PARP10TNKS2

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
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 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 (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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TNKS 3874/4885PARP15 4303/4885PARP14 4332/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TNKS 3874/4885PARP15 4303/4885PARP14 4332/4885

“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.