SCHEMBL9890965

SCHEMBL9890965

c1ccc2c(-c3cc(-c4nc5ccccc5o4)c4ccc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c6ccc3c4c56)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 6/20 0.56
ESR1 P03372 6/20 0.56
ESR2 Q92731 6/20 0.56
HSD17B10 Q99714 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 5/20 0.55
USP2 O75604 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49

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
SCHEMBL12776910 0.95 MAPT (0.51) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL12776940 0.88 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL12776991 0.86 ALDH1A1 (0.56) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL12776988 0.86 ESR1 (0.56) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL22158448 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL29531231 0.85 ALDH1A1 (0.68) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL987895 0.85 ALDH1A1 (0.68) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL12776994 0.84 MAPT (0.51) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL12777009 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDESR1ESR2
SCHEMBL30022809 0.84 ALDH1A1 (0.66) ALDH1A1MAPTHPGDESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 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 (3 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 ALDH1A1 507/4885MAPT 3320/4885HPGD 1247/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 ALDH1A1 426/4885MAPT 4190/4885HPGD 1277/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 ALDH1A1 2046/4885MAPT 2121/4885HPGD 2445/4885

“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.