SCHEMBL6862479

SCHEMBL6862479

COc1ccc(C(C)(C)c2cc(C(C)(C)C)cc(-n3nc4ccc(Cl)cc4n3)c2O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
TBXA2R P21731 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE10A Q9Y233 2/20 0.32
NR1I2 O75469 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL6860730 0.95 MAPT (0.36) MAPTNPC1RAB9AGAAKDM4E
SCHEMBL6855338 0.91 NPC1 (0.38) MAPTNPC1RAB9AKDM4EHTT
SCHEMBL6855667 0.88 HTT (0.45) MAPTNPC1RAB9ACYP3A4CYP2C9
SCHEMBL271450 0.88 CACNA1D (0.36) RAB9ACYP3A4CYP2C9CYP2C19GAA
SCHEMBL7901461 0.87 NPC1 (0.41) MAPTNPC1RAB9ACYP3A4CYP2C9
SCHEMBL6860753 0.86 NPC1 (0.39) MAPTNPC1RAB9AKDM4ETP53
SCHEMBL29349567 0.84 NPC1 (0.41) MAPTNPC1RAB9ACYP3A4CYP2C9
SCHEMBL29241 0.84 NPC1 (0.41) MAPTNPC1RAB9ACYP3A4CYP2C9
SCHEMBL6860552 0.83 NPC1 (0.47) MAPTNPC1RAB9ACYP3A4CYP2C9
SCHEMBL6860602 0.83 DHODH (0.36) MAPTNPC1RAB9ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP claimed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US claimed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO claimed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 MAPT 119/4885NPC1 4353/4885RAB9A 4479/4885

“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.