SCHEMBL19912568

SCHEMBL19912568

Cc1cc(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ADORA1 P30542 2/20 0.34
GAA P10253 2/20 0.34
ADORA2B P29275 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
PTGER4 P35408 1/20 0.32
ABCG2 Q9UNQ0 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
NPY5R Q15761 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL19912566 0.97 ADORA1 (0.35) ALDH1A1HPGDKDM4EADORA1GAA
SCHEMBL19912563 0.94 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EADORA1GAA
SCHEMBL19903691 0.93 CTSS (0.36) ALDH1A1HPGDKDM4EADORA1GAA
SCHEMBL19912562 0.93 PTGER4 (0.33) ALDH1A1HPGDKDM4EGAACTSS
SCHEMBL19912565 0.92 ADORA1 (0.35) ALDH1A1HPGDKDM4EADORA1GAA
SCHEMBL19912379 0.91 AR (0.35) ALDH1A1HPGDKDM4EADORA1GAA
SCHEMBL20150312 0.91 AR (0.38) ALDH1A1CTSSCTSKKMT2AMEN1
SCHEMBL20617054 0.91 RXRA (0.39) ALDH1A1HPGDKDM4EGAACTSS
SCHEMBL21108761 0.91 ICMT (0.34) ALDH1A1HPGDKDM4EADORA1GAA
SCHEMBL19903591 0.90 CTSS (0.38) ALDH1A1HPGDKDM4EADORA1GAA

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 ALDH1A1 817/4885HPGD 1831/4885KDM4E 3559/4885

“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.