SCHEMBL4311531

SCHEMBL4311531

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.35
MAPT P10636 5/20 0.34
MC4R P32245 2/20 0.34
THRB P10828 1/20 0.34
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4305287 0.91 CCR9 (0.38) CCR9MAPTMC4RTHRB
SCHEMBL4308972 0.91 CCR9 (0.41) CCR9MAPTMC4RTHRBTP53
SCHEMBL4315281 0.90 MAPT (0.36) CCR9MAPTMC4RTHRBMC5R
SCHEMBL4311871 0.90 CCR9 (0.38) CCR9MAPTMC4RTHRBMC5R
SCHEMBL4311922 0.90 MAPT (0.38) CCR9MAPTMC4RTHRB
SCHEMBL4307331 0.90 CCR9 (0.39) CCR9MAPTMC4RTHRBTP53
SCHEMBL4323857 0.88 MAPT (0.39) CCR9MAPTMC4RTHRBTP53
SCHEMBL4310962 0.87 MAPT (0.40) CCR9MAPTMC4RTHRBTP53
SCHEMBL4316744 0.86 MC4R (0.35) CCR9MAPTMC4RTHRBMC5R
SCHEMBL4314718 0.84 CCR9 (0.42) CCR9MAPTTHRBTP53

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 CCR9 4698/4885MAPT 498/4885MC4R 1820/4885

“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.