SCHEMBL1733987

SCHEMBL1733987

Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
RXFP1 Q9HBX9 3/20 1.00
SMN1; SMN2 Q16637 3/20 0.81
KDM4E B2RXH2 2/20 0.81
ALDH1A1 P00352 2/20 0.81
ADRB2 P07550 2/20 0.81
HPGD P15428 2/20 0.81
HSD17B10 Q99714 2/20 0.81
USP2 O75604 1/20 0.81
POLB P06746 1/20 0.81
TSHR P16473 1/20 0.81
PTK2B Q14289 1/20 0.81
TP53 P04637 3/20 0.78
LMNA P02545 1/20 0.78
CEPT1 Q9Y6K0 8/20 0.76
RAB9A P51151 2/20 0.74
CETP P11597 8/20 0.68
NPC1 O15118 1/20 0.66

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
SCHEMBL1734714 0.84 MAPT (0.72) MAPTRXFP1CEPT1CETP
SCHEMBL1734817 0.82 CEPT1 (0.80) MAPTRXFP1SMN1; SMN2TP53CEPT1
SCHEMBL1736218 0.81 CEPT1 (1.00) MAPTRXFP1SMN1; SMN2TP53CEPT1
SCHEMBL1736279 0.81 CEPT1 (0.71) MAPTRXFP1SMN1; SMN2TP53CEPT1
SCHEMBL1734895 0.80 CEPT1 (0.84) MAPTRXFP1TP53CEPT1CETP
SCHEMBL4534132 0.80 CETP (0.86) MAPTRXFP1TP53CEPT1CETP
SCHEMBL16384055 0.80 MAPT (0.70) MAPTRXFP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1734724 0.80 CETP (0.88) MAPTRXFP1TP53CEPT1CETP
SCHEMBL1734882 0.80 CETP (0.83) MAPTRXFP1TP53CEPT1CETP
SCHEMBL1734909 0.80 CEPT1 (0.82) MAPTRXFP1TP53CEPT1CETP

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-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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 (1 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 MAPT 1796/4885RXFP1 2335/4885SMN1; SMN2 4780/4885

“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.