SCHEMBL3852176

SCHEMBL3852176

Cc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.41
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
OPRK1 P41145 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
KIF11 P52732 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.34
OPRL1 P41146 1/20 0.33
PTPRC P08575 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
SCHEMBL12781954 0.95 ESR1 (0.45) PDK2ALDH1A1ESR1ESR2LMNA
SCHEMBL12109715 0.93 PDK2 (0.41) PDK2ALDH1A1ESR1ESR2LMNA
SCHEMBL13567251 0.93 ALDH1A1 (0.44) PDK2ALDH1A1ESR1ESR2LMNA
SCHEMBL3176035 0.92 ALDH1A1 (0.41) PDK2ALDH1A1ESR1ESR2LMNA
SCHEMBL12763666 0.92 ESR1 (0.47) PDK2ALDH1A1ESR1ESR2LMNA
SCHEMBL12781959 0.91 PDK2 (0.44) PDK2ALDH1A1ESR1ESR2MEN1
SCHEMBL15553456 0.91 PDK2 (0.44) PDK2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27905145 0.90 PDK2 (0.41) PDK2ALDH1A1ESR1ESR2LMNA
SCHEMBL16922980 0.90 PDK2 (0.45) PDK2ALDH1A1ESR1ESR2MEN1
SCHEMBL1307887 0.89 PDK2 (0.47) PDK2ALDH1A1LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837612-B2 Polymer compound and light-emitting device using same SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2017-12-05 US disclosed
US-9780308-B2 Composition and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-03 US disclosed
US-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-03-03 US disclosed
US-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-03-03 US disclosed
US-7579091-B2 White electroluminescent polymeric material and preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE (CN) 2009-08-25 US disclosed
US-20070270570-A1 WHITE ELECTROLUMINESCENT POLYMERIC MATERIAL AND PREPARATION THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINES ACADEMY OF SCIENCE (CN) 2007-11-22 US disclosed
US-20050214568-A1 White electroluminescent polymeric material & preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE 2005-09-29 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 (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-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD2, OCIAD1, ORMDL3 PDK2 2238/4885ALDH1A1 574/4885ESR1 439/4885

“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.