SCHEMBL17878492

SCHEMBL17878492

Brc1cc(Br)cc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
BIRC5 O15392 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 2/20 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
SCHEMBL17878488 0.91 BIRC5 (0.45) CYP2A6BIRC5HSD17B1HSD17B2ALDH1A1
SCHEMBL17878498 0.91 CYP2A6 (0.40) CYP2A6BIRC5HSD17B1HSD17B2ALDH1A1
SCHEMBL17878470 0.89 CYP2A6 (0.41) CYP2A6HSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL17878477 0.89 CYP2A6 (0.41) CYP2A6HSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL17878512 0.89 GABRA1 (0.37) BIRC5ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL18859401 0.88 CYP2A6 (0.44) CYP2A6BIRC5HSD17B1HSD17B2ALDH1A1
SCHEMBL17878500 0.88 ESR1 (0.42) BIRC5HSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL17878475 0.88 ALDH1A1 (0.37) CYP2A6BIRC5HSD17B1HSD17B2ALDH1A1
SCHEMBL17878473 0.88 ALDH1A1 (0.41) BIRC5ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL17878494 0.88 ALDH1A1 (0.39) BIRC5ALDH1A1KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957441-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-01 US disclosed
US-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, TYR, TAAR1 CYP2A6 1331/4885BIRC5 2796/4885HSD17B1 2950/4885

“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.