SCHEMBL17878475

SCHEMBL17878475

Brc1cc(Br)cc(-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
CYP2A6 P11509 1/20 0.34
BIRC5 O15392 1/20 0.34
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL17878500 0.97 ESR1 (0.42) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17878498 0.97 CYP2A6 (0.40) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17878477 0.92 CYP2A6 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17878470 0.92 CYP2A6 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL13024065 0.88 CYP2A6 (0.48) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL19784928 0.88 CYP2A6 (0.48) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17740595 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17878492 0.88 CYP2A6 (0.38) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL12031849 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL14263603 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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 5 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
US-20160190464-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190464-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 (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-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, TYR, TAAR1 ALDH1A1 20/4885L3MBTL1 514/4885KDM4E 1240/4885
US-20160190464-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, TYR, TAAR1 ALDH1A1 17/4885L3MBTL1 459/4885KDM4E 1211/4885

“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.