SCHEMBL23409079

SCHEMBL23409079

COCOc1ccc(C)cc1C(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CLCN2 P51788 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30070888 1.00 KMT2A (0.46) KMT2APOLBHTTMAPTSMN1; SMN2
SCHEMBL23393391 0.85 HTT (0.41) KMT2AHTTMAPTSMN1; SMN2LMNA
SCHEMBL23409077 0.85 HTT (0.41) KMT2AHTTMAPTSMN1; SMN2LMNA
SCHEMBL23393390 0.85 HTT (0.41) KMT2AHTTMAPTSMN1; SMN2LMNA
SCHEMBL21486406 0.85 PTPN1 (0.41) HTTMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL30070748 0.83 MAPT (0.41) KMT2APOLBHTTMAPTSMN1; SMN2
SCHEMBL21486407 0.83 MAPT (0.41) KMT2APOLBHTTMAPTSMN1; SMN2
SCHEMBL30070859 0.82 ABCB1 (0.56) HTTMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL23393405 0.82 ABCB1 (0.56) HTTMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL21486400 0.81 MAPT (0.37) KMT2AHTTMAPTSMN1; SMN2LMNA

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 1 patent. 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

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 KMT2A 1470/4885POLB 521/4885HTT 3752/4885

“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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