SCHEMBL23393391

SCHEMBL23393391

COCOc1ccc(C)cc1C(=CC(=O)O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CLCN2 P51788 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 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
SCHEMBL23393390 1.00 HTT (0.41) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL23409077 1.00 HTT (0.41) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL21486414 0.91 MRGPRX4 (0.40) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL21486407 0.91 MAPT (0.41) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL30070748 0.91 MAPT (0.41) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL21486400 0.87 MAPT (0.37) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL30070827 0.87 MAPT (0.37) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL21467281 0.86 ABCB1 (0.42) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL21467280 0.86 ABCB1 (0.42) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL23409079 0.85 KMT2A (0.46) HTTMAPTSMN1; SMN2LMNAL3MBTL1

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
CN-110372571-B 2- (2, 2-diarylethyl) -cyclic amine derivative or salt, synthesis and application thereof, and composition 中国科学院大连化学物理研究所 2022-11-15 — — CN 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

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 3752/4885MAPT 1778/4885SMN1; SMN2 747/4885

“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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