SCHEMBL403105

SCHEMBL403105

CCCCCCc1cc(-c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c(CC)c2)c(CCCCCC)cc1-c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.42
SREBF2 Q12772 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
PSMB8 P28062 1/20 0.39
MAP4K4 O95819 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
S1PR1 P21453 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CNR2 P34972 2/20 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
SCHEMBL10041932 0.82 SREBF2 (0.43) CYP17A1SREBF2HDAC1HDAC3HDAC2
SCHEMBL408034 0.81 CYP17A1 (0.46) CYP17A1SREBF2HDAC1HDAC3HDAC2
SCHEMBL402984 0.80 SREBF2 (0.41) CYP17A1SREBF2HDAC1HDAC3HDAC2
SCHEMBL21049585 0.76 SPHK1 (0.59) CYP17A1S1PR1SPHK1
SCHEMBL401898 0.75 PPARA (0.39)
SCHEMBL13181089 0.75 HPGD (0.57) CYP17A1S1PR1SPHK1
SCHEMBL401602 0.74 CNR1 (0.44) CNR2CNR1
SCHEMBL402997 0.72 PRMT5 (0.46) CYP17A1SREBF2HDAC1HDAC3HDAC2
SCHEMBL15014088 0.71 NPC1 (0.62) CYP17A1SPHK1
SCHEMBL1313463 0.71 RAB9A (0.58) CYP17A1SREBF2HDAC1HDAC3HDAC2

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 24 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-20130087779-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-11 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-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 CYP17A1 143/4885SREBF2 1734/4885HDAC1 3400/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP17A1 143/4885SREBF2 1734/4885HDAC1 3400/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP17A1 143/4885SREBF2 1734/4885HDAC1 3400/4885

“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.