SCHEMBL6404439

SCHEMBL6404439

Nc1ccc(CC=CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
GFER P55789 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
MAOB P27338 5/20 0.39
MAOA P21397 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ARG2 P78540 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
FDPS P14324 1/20 0.36
CA3 P07451 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CA6 P23280 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL27806854 0.81 ABAT (0.48) LOXL2MAOBCA1CA2ARG2
SCHEMBL1805094 0.78 ESR1 (0.48) ALDH1A1CYP3A4TDP1MAOBCA1
SCHEMBL9841063 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL27614866 0.78 ESR1 (0.48) ALDH1A1CYP3A4TDP1MAOBCA1
SCHEMBL9841062 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL24042960 0.76 IDO1 (0.43) TSHRMAOBCA1CA2ARG2
SCHEMBL6029605 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL7113395 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL9047930 0.76 IDO1 (0.43) MAOBCA1CA2ARG2MEN1
SCHEMBL28478078 0.76 AGXT (0.43) TDP1MAOBCA1CA2ARG2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858626-B2 Enzyme inhibitor; antiinflammatory agents; osteoporosis BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors XUE CHU-BIAO (US) 2003-07-24 US disclosed
US-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 US disclosed
US-5811398-A Platelet aggregation inhibitors containing C-terminal aminergic side chain amino acid residues G. D. SEARLE & CO. (US) 1998-09-22 US disclosed
EP-0835265-A1 PLATELET AGGREGATION INHIBITORS CONTAINING C-TERMINAL AMINERGIC SIDE CHAIN AMINO ACID RESIDUES G.D. SEARLE & CO. (US) 1998-04-15 EP disclosed
WO-1996032415-A1 PLATELET AGGREGATION INHIBITORS CONTAINING C-TERMINAL AMINERGIC SIDE CHAIN AMINO ACID RESIDUES G.D. SEARLE & CO. (US) 1996-10-17 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-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors MMP9, MMP2, MMP25 ALDH1A1 621/4885CYP3A4 2541/4885GFER 1826/4885

“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.