SCHEMBL24359329

SCHEMBL24359329

CC(C)N(c1ccc(C(C)(C)C)cc1-c1ccccc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GRIN2C Q14957 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 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
SCHEMBL24145267 0.81 ALDH1A1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30619945 0.78 HDAC7 (0.45) ALDH1A1L3MBTL1LMNA
SCHEMBL18287375 0.76 ALDH1A1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23463613 0.75 ALDH1A1 (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24359328 0.75 KMT2A (0.41) ALDH1A1L3MBTL1TACR1LMNA
SCHEMBL5546203 0.75 ALDH1A1 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL26004981 0.75 ALDH1A1 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28565885 0.74 PTPN1 (0.47) NPC1ALDH1A1RAB9AL3MBTL1KEAP1
Hydrogen Sulfide SCHEMBL28059716 0.73 ALDH1A1 (0.55) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1532928 0.73 ALDH1A1 (0.46) 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-20220127291-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-28 — — 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-20220127291-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RER1, OCIAD2, OXSR1 NPC1 3692/4885ALDH1A1 1214/4885PLA2G1B 2116/4885

“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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