SCHEMBL5145522

SCHEMBL5145522

Brc1ccc(-c2ccc3ccccc3c2Nc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
KDM1A O60341 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL4236618 0.94 ABCG2 (0.46) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL6405547 0.94 ABCG2 (0.48) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL4979017 0.89 HSD17B10 (0.48) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL4232444 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL23780947 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL15400423 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL4239262 0.79 KDM1A (0.53) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL30094365 0.78 ALK (0.41) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL21475615 0.78 ALK (0.41) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL27650717 0.77 ANO1 (0.34) ALDH1A1HPGDABCG2CYP1A1CYP1A2

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-9634255-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-25 US disclosed
US-20140374720-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-25 US disclosed
EP-2762478-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2014-08-06 EP disclosed
US-8481174-B2 Organic light-emitting compound of CIS-diarylethene derivatives, organic electroluminescent device using the same, and method of manufacturing the device SAMSUNG DISPLAY CO., LTD. (KR) 2013-07-09 US disclosed
US-20070276160-A1 Organic light-emitting compound of CIS-diarylethene derivatives, organic electroluminescent device using the same, and method of manufacturing the device SAMSUNG DISPLAY CO., LTD. (KR) 2007-11-29 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-20070276160-A1 Organic light-emitting compound of CIS-diarylethene derivatives, organic electroluminescent device using the same, and method of manufacturing the device LEF1, EML4, LAS1L ALDH1A1 117/4885CYP3A4 87/4885HPGD 4372/4885

“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.