SCHEMBL17826360

SCHEMBL17826360

CCC(=O)c1cc(C)c(N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
BRD4 O60885 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 2/20 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
SCHEMBL9720573 0.82 PPARA (0.46) PPARACYP3A4ALDH1A1TSHRMAPT
SCHEMBL6812056 0.80 KMT2A (0.51) PPARACYP3A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2902942 0.78 HSP90AB1 (0.42) PPARACYP3A4ALDH1A1MAPTKDM4E
SCHEMBL27986848 0.78 PPARA (0.44) PPARACYP3A4ALDH1A1MAPTKDM4E
SCHEMBL2274464 0.78 CYP3A4 (0.44) PPARACYP3A4TSHRMAPTSMN1; SMN2
SCHEMBL11382828 0.78 MAPT (0.50) PPARACYP3A4ALDH1A1TSHRMAPT
SCHEMBL13623664 0.78 ATM (0.46) PPARACYP3A4ALDH1A1TDP1TSHR
SCHEMBL10683389 0.78 KMT2A (0.45) PPARACYP3A4ALDH1A1TDP1TP53
SCHEMBL21608721 0.77 HSD17B3 (0.53)
SCHEMBL13946541 0.77 HSD17B3 (0.53)

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
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
US-9365612-B2 Caspase inhibitors UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-06-14 US disclosed
US-8642585-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-20130252937-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-26 US disclosed
CN-103038231-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS INC 2013-04-10 CN 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-20130252937-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPR55, GPR52 PPARA 266/4885CYP3A4 1126/4885ALDH1A1 216/4885

“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.