SCHEMBL19918018

SCHEMBL19918018

N#Cc1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAT2A P31153 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPK1 P28482 1/20 0.33
ABCG2 Q9UNQ0 5/20 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
SCHEMBL22822255 0.98 RXRA (0.38) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19918020 0.97 RXRA (0.37) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL22822249 0.95 RXRA (0.39) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19918021 0.94 RXRA (0.35) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19912518 0.94 CYP1A2 (0.34) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL21108795 0.93 RXRA (0.37) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL22822257 0.92 RXRA (0.38) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19918019 0.91 RXRA (0.37) RXRARXRGCYP1A2CYP3A4MEN1
SCHEMBL19903668 0.91 RXRA (0.41) RXRARXRGALDH1A1TDP1MAPT
SCHEMBL19903510 0.90 PTGER4 (0.36) RXRARXRGCYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
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 (2 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 RXRA 3779/4885RXRG 3669/4885CYP1A2 1023/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3635/4885RXRG 3474/4885CYP1A2 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.