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SCHEMBL12744263

SCHEMBL12744263

CN1C(=O)c2cc(Br)c3c4c(Br)cc5c6c(cc(Br)c(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(C)C5=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.40
▸ CASP3 P42574 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ KEAP1 Q14145 2/20 0.34
▸ NFE2L2 Q16236 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 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
SCHEMBL12869439 0.87 TERT (0.39) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL12869438 0.84 TERT (0.37) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL12744262 0.84 TERT (0.44) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL12869417 0.83 APP (0.38) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL12869437 0.82 TERT (0.36) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL12744259 0.81 MEN1 (0.42) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL18020356 0.81 MEN1 (0.32) APPALDH1A1MEN1KMT2APOLB
SCHEMBL12107460 0.81 APP (0.39) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL12869419 0.79 APP (0.41) APPCASP3ALDH1A1MEN1KMT2A
SCHEMBL19239495 0.78 CYP1B1 (0.51) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM BASF SE (DE) 2017-08-31 — — US disclosed
US-20170237005-A1 PROCESS FOR PREPARING A CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2017-08-17 — — US disclosed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 — — US disclosed
US-7910736-B2 applying n-type organic semiconducting compound 1,6,7,12-Tetrachloro-N,N'-benzyl-perylene-3,9; 11,12-tetracarboxylic diimide or 1,6,7,12-tetrachloroperylen-3,9; 9,10-tetracarboxylic dianhydride; charge transfer compounds for electronics, optoelectronics and photonic applications; chemical intermediates BASF AKTIENGESELLSCHAFT (DE) 2011-03-22 — — US disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 — — 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 (2 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-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 APP 4177/4885CASP3 846/4885ALDH1A1 4792/4885
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM CRY1, NEFM, OR10J3 APP 2705/4885CASP3 3178/4885ALDH1A1 4298/4885

“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.