SCHEMBL9920995

SCHEMBL9920995

c1ccc2c(c1)sc1c(-c3cc4ccc5ccc(-c6cccc7c6sc6ccccc67)c6ccc(c3)c4c56)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PARP14 Q460N5 1/20 0.41
CYP1A2 P05177 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
PRKDC P78527 7/20 0.40
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRDT Q58F21 1/20 0.36
MAPT P10636 2/20 0.35
GPR3 P46089 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9920864 0.90 PARP14 (0.46) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL21190534 0.90 ALOX5 (0.56) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL14101613 0.90 PARP14 (0.48) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL21190455 0.90 ALOX5 (0.59) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL16307760 0.89 ALOX5 (0.46) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL9921015 0.87 ALOX5 (0.47) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL18996172 0.87 ALOX5 (0.54) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL14101619 0.87 ALOX5 (0.51) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL16303052 0.86 ALOX5 (0.53) ALOX5PARP14CYP1A2ERBB2FYN
SCHEMBL14101657 0.86 ALOX5 (0.52) ALOX5PARP14CYP1A2ERBB2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP disclosed
EP-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 EP disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP 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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 ALOX5 1517/4885PARP14 2553/4885CYP1A2 249/4885

“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.