SCHEMBL25458071

SCHEMBL25458071

C=C(/C=C\CC)N(c1ccccc1)c1ccc(C(C)(C)C)cc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.36
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL22002870 0.75 NPSR1 (0.38) NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24145267 0.68 ALDH1A1 (0.44) CYP2D6NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24777168 0.67 DHODH (0.33) —
SCHEMBL23254234 0.67 TSHR (0.36) NPC1ALDH1A1L3MBTL1
SCHEMBL29320785 0.66 MAOA (0.37) CYP2D6NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23463613 0.66 ALDH1A1 (0.39) CYP2D6NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21913825 0.66 FAAH (0.39) NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24359329 0.65 NPC1 (0.49) CYP2D6NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL18814886 0.64 ALDH1A1 (0.50) ALDH1A1L3MBTL1
SCHEMBL24967143 0.64 MEN1 (0.39) CYP2D6NPC1ALDH1A1PLA2G1BNFKB1

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-20230145611-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO.,LTD. (JP) 2023-05-11 — — 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-20230145611-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, ETV6, SSB CYP2D6 1183/4885NPC1 3438/4885ALDH1A1 123/4885

“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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