SCHEMBL734522

SCHEMBL734522

Cc1ccc2c(c1)C(=O)OC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ATM Q13315 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RAD52 P43351 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.41
ELANE P08246 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP19A1 P11511 1/20 0.39
ROS1 P08922 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL1165494 0.85 ALDH1A1 (0.45) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL2472619 0.80 MAPT (0.57) KDM4EHTTALDH1A1GAAMAPT
SCHEMBL29690270 0.80 ALDH1A1 (0.44) KDM4EALDH1A1MAPTTSHRCA1
SCHEMBL6032230 0.80 TSHR (0.40) HTTALDH1A1GAAMAPTNPC1
SCHEMBL3524389 0.80 ALDH1A1 (0.44) KDM4EALDH1A1MAPTTSHRCA1
SCHEMBL730039 0.80 KMT2A (0.42) KDM4EHTTALDH1A1GAAMAPT
SCHEMBL1814052 0.77 KMT2A (0.41) KDM4EALDH1A1MAPTRAB9AHSD17B10
SCHEMBL31217566 0.77 PPIB (0.54) KDM4EHTTALDH1A1GAAMAPT
SCHEMBL3537702 0.77 TSHR (0.38) KDM4EATMHTTALDH1A1GAA
SCHEMBL31217571 0.77 KDM4E (0.44) KDM4EATMHTTRAD52ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2355810-B1 COMPOUND FOR THE TREATMENT OF PSORIASIS NOGRA PHARMA LTD (IE) 2017-07-12 EP disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
WO-2010063472-A1 METHODS FOR PREVENTING OR REDUCING COLON CARCINOGENESIS GIULIANI INTERNATIONAL LIMITED (IE) 2010-06-10 WO disclosed
WO-2010063470-A2 METHODS FOR PREVENTING OR REDUCING CARCINOGENESIS OR OXIDATIVE STRESS GIULIANI INTERNATIONAL LIMITED (IE) 2010-06-10 WO 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-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 KDM4E 4435/4885ATM 1880/4885HTT 3655/4885

“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.