SCHEMBL352617

SCHEMBL352617

CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)c3nn(-c4ccccc4)nc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
KDM4E B2RXH2 6/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
STAT1 P42224 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL353191 0.83 LIPG (0.41) LPLLIPGDGAT1PRMT5WDR77
SCHEMBL13237477 0.79 LPL (0.40) LPLLIPGHTTPRMT5WDR77
SCHEMBL20006903 0.75 LPL (0.53) LPLLIPGKDM4EHPGDHTT
SCHEMBL31614465 0.74 KDM4E (0.44) LPLLIPGKDM4EHPGDALDH1A1
SCHEMBL25548534 0.74 ALOX5 (0.40) LPLLIPGKDM4EHPGDALDH1A1
SCHEMBL28507239 0.71 LIPG (0.60) LPLLIPGKDM4EHPGDALDH1A1
SCHEMBL14613133 0.69 LPL (0.34) LPLLIPG
SCHEMBL5074870 0.68 MEN1 (0.51) LPLLIPGNPC1RAB9AKMT2A
SCHEMBL24345974 0.66 KDM4E (0.41) LPLLIPGKDM4EALDH1A1KMT2A
SCHEMBL14313049 0.66 LPL (0.42) LPLLIPGKDM4EHPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409974-B1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2018-04-25 EP disclosed
US-9005776-B2 Compound having benzotriazole ring structure and organic electroluminescent element HODOGAYA CHEMICAL CO., LTD. (JP) 2015-04-14 US disclosed
EP-2409974-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20120012831-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT SHINSHU UNIVERSITY (JP) 2012-01-19 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-20120012831-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT BRD4, ARNT, MLLT1 LPL 4287/4885LIPG 4699/4885KDM4E 2235/4885

“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.