SCHEMBL7589075

SCHEMBL7589075

CCc1ccc2cc(C[C@H](O)C(C)C(=O)O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.59
AKR1C2 P52895 2/20 0.59
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MME P08473 3/20 0.42
ACE P12821 2/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PTGS2 P35354 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
KDM6B O15054 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6798261 0.76 AKR1C3 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6MME
SCHEMBL6802397 0.76 AKR1C3 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6MME
SCHEMBL27406942 0.74 LDHA (0.67) PPARGPPARAKMT2A
SCHEMBL25719108 0.74 AKR1C3 (1.00) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A
SCHEMBL11461305 0.74 AKR1C3 (1.00) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A
SCHEMBL18770098 0.74 AKR1C3 (1.00) AKR1C3AKR1C2CYP1A2CYP2A6HTR2A
SCHEMBL11827354 0.73 PTGS1 (0.51) AKR1C3AKR1C2HTR2APTGS2ALDH1A1
SCHEMBL9176689 0.73 HTR2A (0.53) AKR1C3AKR1C2CYP1A2CYP2A6PPARG
SCHEMBL7589057 0.73 AKR1C3 (0.46) AKR1C3AKR1C2CYP1A2CYP2A6PPARG
SCHEMBL14945003 0.72 HTR2A (0.59) AKR1C3AKR1C2CYP1A2CYP2A6MME

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-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 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-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 733/4885AKR1C2 728/4885CYP1A2 496/4885

“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.