SCHEMBL4823115

SCHEMBL4823115

C=Cc1cc(OCc2ccccc2)ccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
KIF11 P52732 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
PTPN1 P18031 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL772338 0.88 LNPEP (0.42) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL27693576 0.87 CTSV (0.41) CTSVCTSLKMT2AALDH1A1SMN1; SMN2
SCHEMBL27693581 0.87 CTSV (0.40) CTSVCTSLKMT2AALDH1A1SMN1; SMN2
SCHEMBL10293503 0.85 PARP1 (0.45) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL3088394 0.85 PARP1 (0.48) PARP1KIF11MEN1KMT2AALDH1A1
SCHEMBL13869331 0.85 MCHR1 (0.37) HDAC1HDAC8HDAC6CTSVCTSL
SCHEMBL771413 0.84 PARP1 (0.38) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL1954431 0.83 PARP1 (0.45) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL4026366 0.83 KDM4E (0.44) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL4025848 0.83 FLT3 (0.43) PARP1KIF11HDAC1HDAC8HDAC6

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-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PARP1 1367/4885KIF11 3692/4885HDAC1 886/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PARP1 1367/4885KIF11 3692/4885HDAC1 886/4885

“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.