SCHEMBL21486396

SCHEMBL21486396

COCOc1cc(F)ccc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPT P10636 6/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ELANE P08246 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL30070878 1.00 POLB (0.50) POLBMAPTMAPK1LMNAHPGD
SCHEMBL30785087 0.92 NPC1 (0.48) POLBMAPTLMNAALDH1A1CYP1A2
SCHEMBL23409109 0.89 PTGDR2 (0.49) POLBMAPTMAPK1LMNAHPGD
SCHEMBL30070783 0.89 PTGDR2 (0.49) POLBMAPTMAPK1LMNAHPGD
SCHEMBL30070813 0.85 ELANE (0.54) POLBMAPTMAPK1LMNAHPGD
SCHEMBL2065476 0.85 ELANE (0.54) POLBMAPTMAPK1LMNAHPGD
SCHEMBL10936326 0.84 MAPT (0.49) POLBMAPTMAPK1LMNAHPGD
SCHEMBL23320362 0.83 PTGDR2 (0.56) POLBMAPTMAPK1LMNAHPGD
SCHEMBL23393330 0.83 EGFR (0.39) POLBLMNAHPGDALDH1A1KDM4E
SCHEMBL21486403 0.83 EGFR (0.39) POLBLMNAHPGDALDH1A1KDM4E

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 POLB 521/4885MAPT 1778/4885MAPK1 1663/4885

“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.