SCHEMBL6380249

SCHEMBL6380249

COc1ccc(C=C(C(=O)O)C(=O)OO)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
AKR1C3 P42330 1/20 0.47
F3 P13726 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2A6 P11509 1/20 0.44
GSK3B P49841 2/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL1514195 0.88 THRB (0.50) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL5645074 0.88 THRB (0.50) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL433921 0.88 THRB (0.56) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL7820837 0.88 THRB (0.56) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL7820839 0.88 THRB (0.56) THRBATMCYP1A2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8581964 0.86 THRB (0.55) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL9476792 0.83 ALDH1A1 (0.53) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL9476783 0.83 ALDH1A1 (0.53) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL134782 0.83 MEN1 (0.64) THRBATMCYP1A2ALDH1A1KDM4E
SCHEMBL7607207 0.80 TP53 (0.55) CYP1A2MAPTAKR1C3CYP3A4NPSR1

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-20050032787-A1 Pheny (alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA-TAU INDUSTRIES FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-02-10 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-20050032787-A1 Pheny (alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity LIPC, CPT1A, GPR119 THRB 1410/4885ATM 3355/4885CYP1A2 92/4885

“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.