SCHEMBL402791

SCHEMBL402791

CCCCCc1ccc(-c2ccc(Nc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
UNG P13051 3/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HSD11B1 P28845 1/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46

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
SCHEMBL13892858 0.93 ESR1 (0.53) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL2687626 0.93 ESR1 (0.53) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL13769488 0.93 RARB (0.56) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL11962222 0.91 HSD17B10 (0.59) RARBHSD17B10TSHRRAB9AALDH1A1
SCHEMBL15381069 0.91 HSD17B10 (0.47) RARBHSD17B10TSHRNPC1RAB9A
SCHEMBL1033861 0.89 HPGD (0.53) HSD17B10NPC1RAB9AATMALDH1A1
SCHEMBL4820665 0.89 RARB (0.59) RARBHSD17B10TSHRNPC1RAB9A
SCHEMBL19683443 0.87 HPGD (0.47) MEN1MAPTKMT2AGAAHPGD
SCHEMBL5190113 0.87 RARB (0.55) RARBHSD17B10TSHRNPC1RAB9A
SCHEMBL13133431 0.87 RARB (0.55) RARBHSD17B10TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 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

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-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B RARB 837/4885HSD17B10 835/4885TSHR 1671/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B RARB 837/4885HSD17B10 835/4885TSHR 1671/4885

“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.