SCHEMBL19912402

SCHEMBL19912402

Cc1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PTPN5 P54829 1/20 0.34
NR3C1 P04150 1/20 0.34
HPGD P15428 3/20 0.33
PGR P06401 2/20 0.33
GABRA1 P14867 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 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
SCHEMBL19903448 0.93 PTPN5 (0.37) ARALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL19912390 0.91 AR (0.42) ARALDH1A1NR3C1PGR
SCHEMBL19917985 0.91 AR (0.38) ARALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL19912555 0.91 AR (0.34) ARALDH1A1HSD17B10HPGDKDM4E
SCHEMBL20617055 0.90 RXRA (0.38) ARALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL19912546 0.90 AR (0.34) ARALDH1A1HSD17B10HPGDKDM4E
SCHEMBL19903453 0.90 PTPN5 (0.39) ARALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL26777618 0.90 ALOX5AP (0.35) ARALDH1A1XDH
SCHEMBL21440711 0.89 AR (0.36) ARALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL19912379 0.88 AR (0.35) ARALDH1A1HPGDKDM4E

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 4212/4885ALDH1A1 817/4885CYP1A2 957/4885

“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.