SCHEMBL4305709

SCHEMBL4305709

COc1ccc2cc(C(C)(C)c3ccccc3)c(=O)n(CC(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.49
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.43
CBX7 O95931 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43

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
SCHEMBL13924903 0.89 ACSS2 (0.49) CCR9MAPTCBX7CDYL2CDYL
SCHEMBL4308707 0.87 CCR9 (0.54) CCR9MAPT
SCHEMBL4305180 0.80 MAPT (0.51) CCR9MAPTTP53
SCHEMBL13912958 0.79 LYN (0.50) MAPT
SCHEMBL4311776 0.77 MAPT (0.54) MAPTTP53
SCHEMBL4315297 0.77 CCR9 (0.47) CCR9MAPT
SCHEMBL13912956 0.75 MAPT (0.46) CCR9MAPT
SCHEMBL4305274 0.74 MAPT (0.49) CCR9MAPT
SCHEMBL4308759 0.73 L3MBTL1 (0.55) TP53
SCHEMBL4307894 0.72 PTGDR2 (0.49)

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 4698/4885MAPT 498/4885TP53 4455/4885

“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.