SCHEMBL401898

SCHEMBL401898

CCCCCCc1cc(-c2ccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c(CC)c2)c(CCCCCC)cc1-c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
SOAT1 P35610 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
RARB P10826 2/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL21174594 0.91 SOAT1 (0.42) PPARASOAT1PTGESALOX5TRPV1
SCHEMBL14825181 0.84 RARB (0.45) PPARASOAT1PTGESALOX5RARB
SCHEMBL19265419 0.83 RARB (0.35) PPARATRPV1RARB
SCHEMBL10429729 0.83 LIPG (0.45) PPARASOAT1RARBBIDMCL1
SCHEMBL25867877 0.83 LIPG (0.47) SOAT1RARB
SCHEMBL402741 0.82 RARB (0.37) PPARASOAT1PTGESALOX5RARB
SCHEMBL15381066 0.82 HPGD (0.49) PPARASOAT1RARB
SCHEMBL401927 0.81 TP53 (0.35) PPARASOAT1PTGESALOX5RARB
SCHEMBL8033831 0.81 PPARA (0.43) PPARATRPV1RARBBIDMCL1
SCHEMBL24608921 0.80 LIPG (0.45) SOAT1RARB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10199577-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2019-02-05 US disclosed
US-20170040539-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-02-09 US disclosed
US-20170040539-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-02-09 US disclosed
US-9515267-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2016-12-06 US disclosed
US-9515267-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2016-12-06 US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-20130082251-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-04 US disclosed
US-20130082251-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-04 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B PPARA 999/4885SOAT1 728/4885PTGES 4024/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B PPARA 999/4885SOAT1 728/4885PTGES 4024/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B PPARA 999/4885SOAT1 728/4885PTGES 4024/4885

“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.