SCHEMBL1643463

SCHEMBL1643463

CCCCCCc1ccc(C2(c3ccc(I)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL15132544 0.94 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2825081 0.94 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL29971139 0.94 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL4463559 0.91 ESR1 (0.41) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL12621158 0.89 NPC1 (0.39) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL15132545 0.88 GPR3 (0.44) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL16502179 0.88 GPR3 (0.44) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL16502181 0.88 PTGS2 (0.55) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL12311636 0.88 HTR2A (0.44) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL16502180 0.84 SMN1; SMN2 (0.46) NPC1GAANFKB1RAB9ANFKB2

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-2419489-B1 ORGANIC LIGHT-EMITTING MATERIALS AND DEVICES CAMBRIDGE DISPLAY TECH LTD (GB) 2017-08-09 EP disclosed
EP-2326695-B1 BLUE-LIGHT EMITTING MATERIAL CAMBRIDGE DISPLAY TECH LTD (GB) 2015-02-25 EP disclosed
US-20120085994-A1 Organic Light-Emitting Materials and Devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2012-04-12 US disclosed
US-20110210322-A1 POLYMER COMPOUND CONTAINING NITROGEN-CONTAINING HETEROCYCLIC STRUCTURE, AND COMPOSITION, SOLUTION, THIN FILM AND POLYMER LIGHT-EMITTING ELEMENT EACH CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-01 US disclosed
US-20110186828-A1 Blue light-Emitting Material CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2011-08-04 US disclosed
EP-2336215-A1 POLYMER COMPOUND CONTAINING NITROGEN-CONTAINING HETEROCYCLIC STRUCTURE, AND COMPOSITION, SOLUTION, THIN FILM AND POLYMER LIGHT-EMITTING ELEMENT EACH CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2011-06-22 EP disclosed
US-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US disclosed
EP-2298828-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME Sumitomo Chemical Company, Limited (JP) 2011-03-23 EP disclosed
WO-2010119276-A1 ORGANIC LIGHT-EMITTING MATERIALS AND DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-10-21 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 (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-20110186828-A1 Blue light-Emitting Material CRY1, CRY2, MAP1LC3A NPC1 4358/4885GAA 3322/4885NFKB1 3416/4885
US-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME ZRANB2, ZKSCAN2, SLC39A3 NPC1 4530/4885GAA 4060/4885NFKB1 1999/4885
US-20110210322-A1 POLYMER COMPOUND CONTAINING NITROGEN-CONTAINING HETEROCYCLIC STRUCTURE, AND COMPOSITION, SOLUTION, THIN FILM AND POLYMER LIGHT-EMITTING ELEMENT EACH CONTAINING SAME H1-10, RNF10, F10 NPC1 2235/4885GAA 4767/4885NFKB1 1333/4885

“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.