SCHEMBL13588396

SCHEMBL13588396

CCC(Cc1ccccc1O)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 6/20 0.45
KMT2A Q03164 2/20 0.45
NLRP3 Q96P20 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PPARG P37231 3/20 0.42
AKR1B1 P15121 1/20 0.42
TSHR P16473 2/20 0.40
EGFR P00533 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7898052 0.84 KMT2A (0.46) ALDH1A1KMT2ANLRP3CA1CA2
SCHEMBL13857860 0.81 PPARG (0.50) EPHX2KMT2APPARGAKR1B1MEN1
SCHEMBL6224100 0.80 NLRP3 (0.46) KMT2ANLRP3CA1CA2CA12
SCHEMBL22112689 0.80 NLRP3 (0.46) KMT2ANLRP3CA1CA2CA12
SCHEMBL2502292 0.79 NLRP3 (0.45) ALDH1A1KMT2ANLRP3AKR1B1TSHR
SCHEMBL22113081 0.79 NLRP3 (0.45) ALDH1A1KMT2ANLRP3AKR1B1TSHR
SCHEMBL2586006 0.79 NLRP3 (0.45) ALDH1A1KMT2ANLRP3AKR1B1TSHR
SCHEMBL29478100 0.79 NLRP3 (0.45) ALDH1A1KMT2ANLRP3AKR1B1TSHR
SCHEMBL27420544 0.79 NLRP3 (0.45) KMT2ANLRP3CA1CA2CA12
SCHEMBL117431 0.78 CYP1A2 (0.60) ALDH1A1EPHX2KMT2APPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT ALDH1A1 660/4885EPHX2 1537/4885KMT2A 2178/4885

“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.