SCHEMBL402984

SCHEMBL402984

CCCCCCCCc1cc(-c2c(CCCCCCCC)cc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3ccccc23)c2ccccc2c1-c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.41
CYP17A1 P05093 3/20 0.40
CNR2 P34972 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
DRD2 P14416 1/20 0.39
GLS O94925 1/20 0.38
MAP4K4 O95819 1/20 0.38
FAAH O00519 6/20 0.38
TLR7 Q9NYK1 1/20 0.37
F10 P00742 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 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
SCHEMBL10041932 0.95 SREBF2 (0.43) SREBF2CYP17A1CNR2HDAC3HDAC1
SCHEMBL407639 0.81 CTSK (0.37) SREBF2CYP17A1CNR2HDAC3HDAC1
SCHEMBL403105 0.80 CYP17A1 (0.42) SREBF2CYP17A1CNR2HDAC3HDAC1
SCHEMBL10071168 0.80 CYP17A1 (0.39) SREBF2CYP17A1CNR2HDAC3HDAC1
SCHEMBL19265408 0.76 CA12 (0.47) SREBF2CYP17A1HDAC3HDAC1HDAC2
SCHEMBL402987 0.75 TLR8 (0.40) CNR2
SCHEMBL21049585 0.73 SPHK1 (0.59) CYP17A1
SCHEMBL15139200 0.73 CYP17A1 (0.52) CYP17A1DRD2MAP4K4BRD4CREBBP
SCHEMBL13181089 0.72 HPGD (0.57) CYP17A1DRD2
SCHEMBL10041933 0.69 TLR8 (0.43) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293739-B2 Process and materials for making contained layers and devices made with same E I DU PONT DE NEMOURS AND COMPANY (US) 2016-03-22 US disclosed
US-20140349431-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME EI DU PONT DE NEMOURS AND COMPANY (US) 2014-11-27 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 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-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B SREBF2 1734/4885CYP17A1 143/4885CNR2 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.