SCHEMBL16769435

SCHEMBL16769435

CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)c(C)c3)nc(-c3ccc(Br)c(C)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RARB P10826 7/20 0.48
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
SPHK1 Q9NYA1 1/20 0.43
HSD11B1 P28845 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL16769434 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL19559603 0.89 RAB9A (0.39) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL16769386 0.87 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL16769374 0.87 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL16769383 0.86 RARB (0.53) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL29448265 0.85 RARB (0.58) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL12622274 0.83 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL15281189 0.83 RARB (0.57) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL12128008 0.83 RARB (0.53) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL16769433 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929359-B2 Composition and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-27 US disclosed
US-9905767-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
EP-3133660-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company Limited (JP) 2017-02-22 EP disclosed
US-20170040542-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20170040542-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20160164008-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160164008-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 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-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, CCNL2, CRKL ALDH1A1 806/4885MAPT 2720/4885HSD17B10 3991/4885
US-20170040542-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME CRY1, CHRM1, CRY2 ALDH1A1 407/4885MAPT 2569/4885HSD17B10 2226/4885
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, GRK1, GNA11 ALDH1A1 315/4885MAPT 3221/4885HSD17B10 3007/4885

“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.