Sugi Predict

Sugi Predict / Compounds / SCHEMBL10071168

SCHEMBL10071168

SCHEMBL10071168

CCCCCCC(C)c1cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccccc2c1-c1c(C(C)CCCCCC)cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.39
▸ CTSK P43235 4/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SREBF2 Q12772 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ BCL2 P10415 1/20 0.37

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
SCHEMBL407639 0.95 CTSK (0.37) CYP17A1CTSKCNR2KDM4EKMT2A
SCHEMBL10041932 0.82 SREBF2 (0.43) CYP17A1CNR2SREBF2HDAC1HDAC3
SCHEMBL402984 0.80 SREBF2 (0.41) CYP17A1CNR2SREBF2HDAC1HDAC3
SCHEMBL19265408 0.76 CA12 (0.47) CYP17A1SREBF2HDAC1HDAC3HDAC2
SCHEMBL10071781 0.76 CNR1 (0.38) CNR2KDM4EKMT2AL3MBTL1
SCHEMBL15139200 0.72 CYP17A1 (0.52) CYP17A1KMT2AMAP4K4BCL2
SCHEMBL406374 0.71 CNR1 (0.36) CNR2KMT2A
SCHEMBL29225769 0.69 BRD4 (0.47) CYP17A1MAP4K4BCL2
SCHEMBL403105 0.69 CYP17A1 (0.42) CYP17A1CNR2SREBF2HDAC1HDAC3
SCHEMBL21049585 0.68 SPHK1 (0.59) CYP17A1

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-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-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 — — US disclosed
US-20100252819-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 — — US disclosed
WO-2010114583-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 — — WO disclosed
WO-2009067419-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-28 — — WO 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-20100252819-A1 ELECTROACTIVE MATERIALS HCN2, HCN4, HCN3 CYP17A1 3144/4885CTSK 1715/4885CNR2 576/4885
US-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP17A1 143/4885CTSK 3504/4885CNR2 338/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP17A1 143/4885CTSK 3504/4885CNR2 338/4885

“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.