SCHEMBL4315475

SCHEMBL4315475

COc1ccc2cc(C3CCCCC3)c(=O)n(CCC(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
CNR2 P34972 3/20 0.38
SRC P12931 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LYN P07948 1/20 0.36
BTK Q06187 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 1/20 0.36
FDFT1 P37268 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL4308755 0.85 GRM2 (0.40) PTGDR2CNR2SRCNPSR1ALDH1A1
SCHEMBL4303553 0.84 PTGDR2 (0.39) PTGDR2MAPT
SCHEMBL4307781 0.84 PTGDR2 (0.41) PTGDR2SRCMAPTMTNR1AMTNR1B
SCHEMBL4313053 0.83 PTGDR2 (0.38) PTGDR2MAPT
SCHEMBL4312875 0.83 PTGDR2 (0.38) PTGDR2ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL4311202 0.83 PTGDR2 (0.39) PTGDR2SRCMAPTMTNR1AMTNR1B
SCHEMBL4305160 0.82 PTGDR2 (0.38) PTGDR2CNR2MAPT
SCHEMBL4307726 0.81 PTGDR2 (0.37) PTGDR2SRCALDH1A1MAPTMTNR1A
SCHEMBL4308723 0.81 PTGDR2 (0.39) PTGDR2CNR2SRCMAPTRXFP1
SCHEMBL13912957 0.81 PTGDR2 (0.51) PTGDR2

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 5 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
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP 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 PDE5A 142/4885PTGDR2 482/4885CNR2 815/4885

“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.