SCHEMBL4912423

SCHEMBL4912423

O=C1C(c2ccc(Br)cc2)=C(c2ccc(Br)cc2)C(c2ccc(Br)cc2)=C1c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
MPI P34949 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
S100A4 P26447 1/20 0.44

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
SCHEMBL4916317 0.91 ALDH1A1 (0.61) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL11619315 0.91 ALDH1A1 (0.61) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL28351836 0.91 ALDH1A1 (0.61) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL29825939 0.89 ALOX15 (0.56) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL14421349 0.89 ALDH1A1 (0.56) CA2CA12CA9MAPK1MEN1
SCHEMBL16420023 0.82 ALDH1A1 (0.50) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL29825951 0.82 ESR1 (0.56) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL14905410 0.80 MAPK1 (0.54) CA2CA12CA9MAPK1MEN1
SCHEMBL728673 0.76 ALDH1A1 (0.50) MAPK1MEN1MAPTKMT2AKDM4E
SCHEMBL18380164 0.75 MEN1 (0.44) CA2CA12CA9MEN1MAPT

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
WO-2016193748-A1 COMPOSITION THE UNIVERSITY OF BIRMINGHAM (GB) 2016-12-08 WO disclosed
US-9078330-B2 Highly branched dendrimers ISIS INNOVATION LIMITED (GB) 2015-07-07 US disclosed
US-8329316-B2 Tetraphenylnaphalene derivatives and organic light emitting diode using the same LG CHEM, LTD. (KR) 2012-12-11 US disclosed
US-8329316-B2 Tetraphenylnaphalene derivatives and organic light emitting diode using the same LG CHEM, LTD. (KR) 2012-12-11 US disclosed
US-20090174312-A1 Tetraphenylnaphalene Derivatives and Organic Light Emitting Diode Using the Same LG CHEM, LTD. (KR) 2009-07-09 US disclosed
US-20090174312-A1 Tetraphenylnaphalene Derivatives and Organic Light Emitting Diode Using the Same LG CHEM, LTD. (KR) 2009-07-09 US disclosed
US-20080211391-A1 Highly Branched Dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2008-09-04 US disclosed
WO-2007098440-A1 STAR MACROMONOMERS AND POLYMERIC MATERIALS AND MEDICAL DEVICES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2007-08-30 WO disclosed
US-20070197733-A1 Star macromonomers and polymeric materials and medical devices comprising same BAUSCH & LOMB INCORPORATED 2007-08-23 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-20090174312-A1 Tetraphenylnaphalene Derivatives and Organic Light Emitting Diode Using the Same CRY2, CRY1, PPOX CA2 4674/4885CA12 3718/4885CA9 3909/4885
US-20080211391-A1 Highly Branched Dendrimers ITGB1, PICALM, BTN3A1 CA2 2241/4885CA12 1803/4885CA9 3352/4885

“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.