SCHEMBL21483581

SCHEMBL21483581

COCOc1ccc(C(F)(F)F)cc1/C(=C/C(=O)OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
MRGPRX4 Q96LA9 7/20 0.41
LRRK2 Q5S007 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL30070797 1.00 HTT (0.50) HTTKDM4EHPGDKMT2ATAS2R14
SCHEMBL23393372 0.91 HTT (0.49) HTTKDM4EHPGDKMT2ATAS2R14
SCHEMBL23393374 0.91 HTT (0.49) HTTKDM4EHPGDKMT2ATAS2R14
SCHEMBL21483587 0.84 HTT (0.46) HTTKDM4EHPGDKMT2ATAS2R14
SCHEMBL21483293 0.84 MAPT (0.40) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL30070788 0.84 MAPT (0.40) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL21483285 0.84 ABCB1 (0.42) HTTKMT2AMRGPRX4LRRK2PTGDR2
SCHEMBL30070808 0.84 HTT (0.46) HTTKDM4EHPGDKMT2ATAS2R14
SCHEMBL30070726 0.84 ABCB1 (0.42) HTTKMT2AMRGPRX4LRRK2PTGDR2
SCHEMBL21483438 0.83 MAPT (0.47) KDM4EHPGDKMT2AALDH1A1MAPT

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-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 HTT 3752/4885KDM4E 3872/4885HPGD 1839/4885

“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.