SCHEMBL4821597

SCHEMBL4821597

CCOC(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
CCR3 P51677 1/20 0.40
ALOX15 P16050 3/20 0.38
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
USP14 P54578 1/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL10293471 0.92 ALDH1A1 (0.44) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL772713 0.90 CNR2 (0.42) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL14435342 0.88 ALDH1A1 (0.41) ALDH1A1NPSR1L3MBTL1KDM4ELMNA
SCHEMBL1173428 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL771509 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL391724 0.87 ALDH1A1 (0.41) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL1173483 0.87 ALDH1A1 (0.42) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL3073515 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL772730 0.84 PKM (0.43) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1
SCHEMBL5300454 0.84 PRKCA (0.40) ALDH1A1NPSR1HPGDSMN1; SMN2RXFP1

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 8 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
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 ALDH1A1 920/4885NPSR1 3403/4885HPGD 897/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 ALDH1A1 920/4885NPSR1 3403/4885HPGD 897/4885

“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.