SCHEMBL19912567

SCHEMBL19912567

Cc1cc(-c2cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(C#N)c(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HTT P42858 3/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 2/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
RXRA P19793 1/20 0.30
RXRG P48443 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19912562 0.95 PTGER4 (0.33) CTSSCTSKPOLBALDH1A1GAA
SCHEMBL19903490 0.95 CTSS (0.33) CTSSCTSKHTTPOLBLMNA
SCHEMBL20617039 0.92 RXRA (0.39) CTSSCTSKHTTLMNARXRA
SCHEMBL21109634 0.92 ICMT (0.32) CTSSCTSKRXRARXRG
SCHEMBL19912566 0.90 ADORA1 (0.35) CTSSCTSKHTTPOLBLMNA
SCHEMBL19903488 0.90 PTGER4 (0.34) CTSSCTSKHTTLMNAALDH1A1
SCHEMBL19912564 0.89 KIF11 (0.32) CTSSCTSKPOLBALDH1A1GAA
SCHEMBL20150318 0.89 AR (0.35)
SCHEMBL19912547 0.88 AR (0.34) POLBRXRARXRGALDH1A1GAA
SCHEMBL19912568 0.88 ALDH1A1 (0.34) CTSSCTSKHTTPOLBLMNA

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 CTSS 4073/4885CTSK 3483/4885HTT 3519/4885

“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.