SCHEMBL16822402

SCHEMBL16822402

c1ccc2cc(Nc3ccc(N(c4ccc(Nc5ccc6ccccc6c5)cc4)c4ccc(Nc5ccc6ccccc6c5)cc4)cc3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 3/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 1/20 0.70
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
SNCA P37840 1/20 0.46
CYP26A1 O43174 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL10001570 0.96 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL28389125 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL4893481 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL27821843 0.92 ALDH1A1 (0.78) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL3027645 0.92 ALDH1A1 (0.78) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL12956012 0.91 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL12955830 0.90 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL13175097 0.89 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL14878705 0.89 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL12955885 0.88 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780855-B2 2-(2′-diarylaminophenyl) borabenzene derivative and organic electronic device including the derivative LG CHEM, LTD. (KR) 2023-10-10 US disclosed
US-20220013728-A1 Anthracene Derivatives And Organic Electronic Device Using Same LG CHEM, LTD. (KR) 2022-01-13 US disclosed
US-20210053994-A1 2-(2'-DIARYLAMINOPHENYL) BORABENZENE DERIVATIVE AND ORGANIC ELECTRONIC DEVICE INCLUDING THE DERIVATIVE LG CHEM, LTD. (KR) 2021-02-25 US disclosed
US-20200290986-A1 MONO AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-17 US disclosed
US-10693079-B2 Mono amine derivatives and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-23 US disclosed
US-20160372677-A1 MONO AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-22 US disclosed
US-20150357579-A1 CARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-10 US disclosed
US-20150357580-A1 CARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-10 US disclosed
US-20150179943-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-25 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 (8 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-20200290986-A1 MONO AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME MAOA, MAOB, TAAR1 ALDH1A1 58/4885HSD17B10 1643/4885CYP3A4 556/4885
US-11780855-B2 2-(2′-diarylaminophenyl) borabenzene derivative and organic electronic device including the derivative OR51E2, OR10J3, KCNJ2 ALDH1A1 846/4885HSD17B10 2045/4885CYP3A4 1201/4885
US-20210053994-A1 2-(2'-DIARYLAMINOPHENYL) BORABENZENE DERIVATIVE AND ORGANIC ELECTRONIC DEVICE INCLUDING THE DERIVATIVE OR51E2, OR10J3, KCNJ2 ALDH1A1 802/4885HSD17B10 1934/4885CYP3A4 1156/4885
US-20150357580-A1 CARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE BRD1, BRD2, BRD3 ALDH1A1 207/4885HSD17B10 906/4885CYP3A4 55/4885
US-10693079-B2 Mono amine derivatives and organic electroluminescent device including the same CHRM1, NAP1L1, NAT1 ALDH1A1 120/4885HSD17B10 1610/4885CYP3A4 1393/4885
US-20160372677-A1 MONO AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CHRM1, NAP1L1, NAT1 ALDH1A1 120/4885HSD17B10 1610/4885CYP3A4 1393/4885
US-20150357579-A1 CARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE BRD1, BRD2, BRD3 ALDH1A1 620/4885HSD17B10 394/4885CYP3A4 395/4885
US-20220013728-A1 Anthracene Derivatives And Organic Electronic Device Using Same OR10J3, OR51E2, CYP1A1 ALDH1A1 13/4885HSD17B10 283/4885CYP3A4 126/4885

“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.