SCHEMBL17878494

SCHEMBL17878494

Brc1cc(Br)cc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MGLL Q99685 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
BIRC5 O15392 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17878512 0.98 GABRA1 (0.37) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL17878473 0.97 ALDH1A1 (0.41) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL17740596 0.95 ALDH1A1 (0.38) ALDH1A1MAPK1CRHBPCRHR2SLC6A2
SCHEMBL17878504 0.89 GABRG2 (0.45) ALDH1A1MAPK1MGLLGABRA1GABRG2
SCHEMBL24886411 0.89 MGLL (0.43) ALDH1A1CRHBPCRHR2MGLLKDM4E
SCHEMBL15607747 0.89 MGLL (0.43) ALDH1A1CRHBPCRHR2MGLLKDM4E
SCHEMBL17878505 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1CRHBPCRHR2MGLL
SCHEMBL17878492 0.88 CYP2A6 (0.38) ALDH1A1SLC6A2SLC6A4GABRA1GABRG2
SCHEMBL18090368 0.87 ALDH1A1 (0.40) ALDH1A1MAPK1CRHBPCRHR2MGLL
SCHEMBL19429292 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1CRHBPCRHR2MGLL

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 ALDH1A1 20/4885MAPK1 1461/4885CRHBP 4347/4885

“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.