SCHEMBL26625446

SCHEMBL26625446

CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3-c3ccccc3)c2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ RORB Q92753 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CNR1 P21554 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
SCHEMBL26625478 0.93 CYP1A2 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL26625154 0.93 NPC1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23432410 0.92 NPC1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23432185 0.90 TSHR (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24175560 0.89 TSHR (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL22432138 0.88 CNR1 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL26625366 0.87 CNR1 (0.32) CYP2D6CNR1
SCHEMBL26625244 0.87 RORB (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22432189 0.86 CNR1 (0.36) RORBPTGESALOX5CNR1
SCHEMBL23446682 0.86 CNR1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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-11800785-B2 Material for organic device and organic electroluminescent device using the same KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-10-24 — — 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-11800785-B2 Material for organic device and organic electroluminescent device using the same RER1, LEF1, CHRM1 NPC1 2280/4885ALDH1A1 913/4885PLA2G1B 4234/4885

“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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