SCHEMBL2887535

SCHEMBL2887535

COc1cccc(C[C@](C(=O)O)(c2ccccc2OC)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ ABCB1 P08183 3/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GRM2 Q14416 1/20 0.42
▸ GRM3 Q14832 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CTBP2 P56545 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ PTPRB P23467 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41

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
SCHEMBL8953320 0.76 CYP1A2 (0.51) RAB9AUSP2CYP1A2KMT2ACTBP2
SCHEMBL8953325 0.76 CYP1A2 (0.51) RAB9AUSP2CYP1A2KMT2ACTBP2
SCHEMBL12802274 0.76 CYP1A2 (0.54) USP2CYP1A2GRM2GRM3KMT2A
SCHEMBL7495740 0.74 TAAR1 (0.43) ABCB1HTR1ADRD2KMT2AMEN1
SCHEMBL2036352 0.73 BLM (0.55) USP2CYP1A2GRM2GRM3KMT2A
SCHEMBL2036351 0.73 BLM (0.55) USP2CYP1A2GRM2GRM3KMT2A
SCHEMBL29499675 0.73 BLM (0.55) USP2CYP1A2GRM2GRM3KMT2A
SCHEMBL27633072 0.73 ABCB1 (0.53) ABCB1HTR1ADRD2KMT2AMEN1
SCHEMBL21602082 0.72 CYP1A2 (0.52) USP2CYP1A2GRM2GRM3KMT2A
SCHEMBL28085847 0.72 CYP1A2 (0.52) USP2CYP1A2GRM2GRM3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 — — 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 RAB9A 3234/4885USP2 4570/4885ABCB1 2594/4885

“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.

Send feedback