SCHEMBL4307726

SCHEMBL4307726

COc1ccc2cc(C3CCCC3)c(=O)n(CC(=O)N(C)CCC(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM2B Q8NHM5 3/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL4312875 0.99 PTGDR2 (0.38) PTGDR2MAPTTHRBOPRM1OPRL1
SCHEMBL4313053 0.93 PTGDR2 (0.38) PTGDR2MAPTTHRBKDM2B
SCHEMBL4303553 0.92 PTGDR2 (0.39) PTGDR2MAPTTHRBKDM2B
SCHEMBL4316778 0.90 MAPT (0.38) PTGDR2MAPTTHRBKDM2B
SCHEMBL4310441 0.89 MAPT (0.36) PTGDR2MAPTTHRBKDM2B
SCHEMBL4305160 0.89 PTGDR2 (0.38) PTGDR2MAPTTHRBKDM2B
SCHEMBL4321748 0.89 MAPT (0.38) PTGDR2MAPTTHRBKDM2BSRC
SCHEMBL4311202 0.89 PTGDR2 (0.39) PTGDR2MAPTTHRBMTNR1AMTNR1B
SCHEMBL4308713 0.89 PTGDR2 (0.37) PTGDR2MAPTTHRBKDM2B
SCHEMBL4320702 0.89 PTGDR2 (0.37) PTGDR2MAPTTHRBSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 PTGDR2 482/4885MAPT 498/4885THRB 2231/4885

“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.