SCHEMBL587249

SCHEMBL587249

COc1ccc(C(C)(C)C)cc1C(CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 16/20 0.51
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL580317 1.00 CTSA (0.51) CTSAKEAP1NFE2L2CYP2C19CYP1A2
SCHEMBL580171 0.90 TNF (0.49) CTSACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL580496 0.83 CYP1A2 (0.43) CTSACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL579703 0.83 CYP1A2 (0.43) CTSACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL30232579 0.82 KMT2A (0.54) CTSAKEAP1NFE2L2NPSR1
SCHEMBL617039 0.82 KMT2A (0.54) CTSAKEAP1NFE2L2NPSR1
SCHEMBL9222644 0.81 POLB (0.55) CTSAKEAP1NFE2L2NPSR1
SCHEMBL9228033 0.81 NPSR1 (0.54) CTSACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL5198568 0.80 NPSR1 (0.47) CTSAKEAP1NFE2L2MAPK1NPSR1
SCHEMBL14387382 0.79 CTSA (0.44) CTSAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 CTSA 1492/4885KEAP1 1142/4885NFE2L2 2090/4885

“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.