SCHEMBL21483094

SCHEMBL21483094

CCc1ccc(OCOC)c(C(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.57
PPARD Q03181 9/20 0.57
PPARA Q07869 7/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.48
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
ABCB1 P08183 1/20 0.43
SLC6A9 P48067 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL30070784 1.00 PPARG (0.57) PPARGPPARDPPARAPTGDR2ATM
SCHEMBL23409169 0.90 PPARG (0.47) PPARGPPARDPPARAPTGDR2ATM
SCHEMBL30070761 0.90 PPARG (0.47) PPARGPPARDPPARAPTGDR2ATM
SCHEMBL5991233 0.86 PPARG (0.56) PPARGPPARDPPARAATMKDM4E
SCHEMBL30785075 0.86 PPARG (0.56) PPARGPPARDPPARAATMKDM4E
SCHEMBL23393357 0.84 PPARG (0.43) PPARGPPARDPPARACYP3A4EGFR
SCHEMBL23393360 0.84 PPARG (0.43) PPARGPPARDPPARACYP3A4EGFR
SCHEMBL23409171 0.83 MAPT (0.51) PPARGPPARDPPARAPTGDR2KDM4E
SCHEMBL21483267 0.83 LMNA (0.51) PTGDR2ATMKDM4EMAPTHSD17B10
SCHEMBL23393405 0.83 ABCB1 (0.56) PTGDR2KDM4EMAPTHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
WO-2019196898-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF 中国科学院大连化学物理研究所 2019-10-17 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-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF CHRNB2, ADRB2, CHRNB1 PPARG 2660/4885PPARD 2548/4885PPARA 3613/4885

“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.