SCHEMBL26328190

SCHEMBL26328190

Cc1ccc(C2CC(O)C(=O)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP19A1 P11511 2/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL27006295 0.82 RET (0.40) MAOBALDH1A1LMNAMAPTNPSR1
SCHEMBL27018775 0.81 CYP19A1 (0.46) MAOBALDH1A1CYP19A1MAPTCYP1A2
SCHEMBL27018784 0.81 CYP19A1 (0.46) MAOBALDH1A1CYP19A1MAPTCYP1A2
SCHEMBL27779717 0.81 CYP19A1 (0.46) MAOBALDH1A1CYP19A1MAPTCYP1A2
SCHEMBL5349568 0.81 CYP19A1 (0.46) MAOBALDH1A1CYP19A1MAPTCYP1A2
SCHEMBL17860841 0.80 MAPT (0.46) MAOBALDH1A1LMNAMAPTATM
SCHEMBL11386400 0.79 KDM1A (0.41) MAOBCYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL11386397 0.79 KDM1A (0.41) MAOBCYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL11386399 0.79 KDM1A (0.41) MAOBCYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL11395645 0.79 KDM1A (0.41) MAOBCYP19A1CYP1A2CYP2C9CYP2C19

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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 MAOB 1729/4885ALDH1A1 2121/4885LMNA 4159/4885

“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.