SCHEMBL20150312

SCHEMBL20150312

Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
ABCG2 Q9UNQ0 5/20 0.36
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
PTGER4 P35408 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
NPY5R Q15761 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL20114993 0.94 ABCG2 (0.35) ARABCG2CYP11B1CYP11B2SLC22A12
SCHEMBL19912459 0.91 ABCG2 (0.35) ARABCG2XDHPTGER4CTSS
SCHEMBL19912568 0.91 ALDH1A1 (0.34) ABCG2PTGER4CTSSCTSKNPY5R
SCHEMBL20150309 0.91 ABCG2 (0.36) ARABCG2PTGER4NPY5RMEN1
SCHEMBL19912566 0.88 ADORA1 (0.35) ARABCG2CTSSCTSKMEN1
SCHEMBL20115004 0.88 ABCG2 (0.38) ARABCG2MEN1ALDH1A1CYP1A2
SCHEMBL20150316 0.88 AR (0.35) ARABCG2CYP11B1CYP11B2SLC22A12
SCHEMBL20150318 0.87 AR (0.35) ARCYP11B1CYP11B2
SCHEMBL20114666 0.87 ABCG2 (0.39) ABCG2CTSSCTSKALDH1A1
SCHEMBL20150303 0.87 AR (0.40) ARABCG2PTGER4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 AR 3892/4885ABCG2 2585/4885CYP11B1 1765/4885

“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.