SCHEMBL4308707

SCHEMBL4308707

COc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.54
CCR2 P41597 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL4315297 0.89 CCR9 (0.47) CCR9CCR2MAPT
SCHEMBL4305709 0.87 CCR9 (0.49) CCR9MAPT
SCHEMBL4305180 0.84 MAPT (0.51) CCR9CCR2MAPT
SCHEMBL4314718 0.82 CCR9 (0.42) CCR9MAPT
SCHEMBL4311776 0.82 MAPT (0.54) MAPT
SCHEMBL4314952 0.81 MAPT (0.42) CCR9MAPT
SCHEMBL4309693 0.81 MAPT (0.42) CCR9MAPT
SCHEMBL13924694 0.81 CCR9 (0.44) CCR9CCR2MAPT
SCHEMBL4307899 0.81 GRM2 (0.46) CCR9CCR2MAPT
SCHEMBL4308972 0.81 CCR9 (0.41) CCR9MAPT

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 4 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 disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 CCR9 4698/4885CCR2 4379/4885MAPT 498/4885

“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.