SCHEMBL19912432

SCHEMBL19912432

Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(-c3cc(C)cc(C(F)(F)F)c3)c(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)cc2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.46
ENPP1 P22413 1/20 0.36
ICMT O60725 1/20 0.35
MAT2A P31153 2/20 0.35
XDH P47989 1/20 0.35
PGR P06401 1/20 0.33
PTPN5 P54829 1/20 0.33
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ERBB2 P04626 1/20 0.32
KCNH2 Q12809 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SERPINE1 P05121 1/20 0.32

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
SCHEMBL19912429 0.97 AR (0.44) ARENPP1ICMTMAT2AXDH
SCHEMBL19917805 0.97 AR (0.47) ARENPP1ICMTMAT2AXDH
SCHEMBL22822324 0.94 AR (0.45) ARENPP1ICMTMAT2AXDH
SCHEMBL19912416 0.94 AR (0.39) ARXDHPGRALDH1A1
SCHEMBL19912428 0.94 AR (0.41) ARENPP1ICMTMAT2AXDH
SCHEMBL19912576 0.93 AR (0.47) ARENPP1ICMTMAT2AXDH
SCHEMBL19912438 0.93 AR (0.36) ARICMTXDHPGR
SCHEMBL19912419 0.92 AR (0.38) ARXDHPGR
SCHEMBL19912445 0.92 AR (0.37) ARICMTXDHPGR
SCHEMBL19912430 0.92 AR (0.43) ARICMTXDHPGR

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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885ENPP1 4717/4885ICMT 127/4885

“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.