SCHEMBL12759478

SCHEMBL12759478

Cc1ncn(-c2cccc(C(C)(C)c3cccc(-n4cnc(C(F)(F)F)c4C(C)C)n3)n2)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 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
SCHEMBL16328876 0.94 CYP17A1 (0.38) CYP17A1
SCHEMBL12759479 0.66 CYP17A1 (0.38) CYP17A1
SCHEMBL16328875 0.65 CYP17A1 (0.39) CYP17A1
SCHEMBL22670047 0.61 ALDH1A1 (0.40)
SCHEMBL11987645 0.59 NPC1 (0.45)
SCHEMBL11987006 0.58 MAPT (0.58) CYP17A1
SCHEMBL14082024 0.57 ADRB1 (0.39)
SCHEMBL10327009 0.57 MAPT (0.39)
SCHEMBL29418997 0.57 CYP17A1 (0.43) CYP17A1
SCHEMBL15293909 0.57 CYP17A1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 CYP17A1 3108/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 CYP17A1 3108/4885

“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.