SCHEMBL21486407

SCHEMBL21486407

COCOc1ccc(C)cc1/C(=C/C(=O)OC)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ CLCN2 P51788 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30070748 1.00 MAPT (0.41) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL23393390 0.91 HTT (0.41) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL23393391 0.91 HTT (0.41) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL23409077 0.91 HTT (0.41) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL21483285 0.86 ABCB1 (0.42) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL30070726 0.86 ABCB1 (0.42) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL21486400 0.85 MAPT (0.37) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL30070827 0.85 MAPT (0.37) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL21483108 0.83 PDE4A (0.41) MAPTHTTHSP90AA1NPSR1SMN1; SMN2
SCHEMBL30070778 0.83 PDE4A (0.41) MAPTHTTHSP90AA1NPSR1SMN1; SMN2

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 MAPT 1778/4885HTT 3752/4885HSP90AA1 4316/4885

“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.

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