SCHEMBL16017141

SCHEMBL16017141

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDK2 Q15119 3/20 0.44
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL16017111 0.94 PDK2 (0.42) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL27309907 0.93 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL31058366 0.93 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL16017142 0.92 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL30455829 0.91 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL15677716 0.91 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL30531575 0.90 PDK2 (0.41) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL29057896 0.90 PDK2 (0.41) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL15003689 0.89 PDK2 (0.50) ALDH1A1HPGDCYP3A4HSD17B10PDK2
SCHEMBL29634238 0.89 PDK2 (0.50) ALDH1A1HPGDCYP3A4HSD17B10PDK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941108-B2 Organic compound and organic electroluminescent element comprising same MATERIAL SCIENCE CO., LTD. 2021-03-09 US disclosed
US-10573838-B2 Organic electric element comprising compound for organic electric element and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-02-25 US disclosed
US-10249825-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2019-04-02 US disclosed
US-20190016666-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME MATERIAL SCIENCE CO., LTD. (KR) 2019-01-17 US disclosed
US-10170706-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-01 US disclosed
US-20180205032-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 US disclosed
US-20180205032-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 US disclosed
US-9768388-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-19 US disclosed
US-9601703-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-21 US disclosed
US-9601703-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-21 US disclosed
US-20150303379-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-10-22 US disclosed
US-20150303379-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-10-22 US disclosed
US-20150280134-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-01 US disclosed
US-20150236266-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 US disclosed
US-20150236266-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 US disclosed
US-20150053942-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-26 US disclosed
US-20150053942-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-26 US disclosed
US-20150048332-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-19 US disclosed
US-20140252327-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-11 US disclosed
US-20140252327-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-11 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 (6 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-20150280134-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TYR, DOT1L, CRY1 ALDH1A1 12/4885HPGD 3332/4885CYP3A4 481/4885
US-10941108-B2 Organic compound and organic electroluminescent element comprising same OCIAD2, OR51E2, OCIAD1 ALDH1A1 277/4885HPGD 2341/4885CYP3A4 536/4885
US-10249825-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR51E2 ALDH1A1 1706/4885HPGD 2719/4885CYP3A4 1715/4885
US-20190016666-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OCIAD2, OR51E2, OCIAD1 ALDH1A1 277/4885HPGD 2341/4885CYP3A4 536/4885
US-10170706-B2 Amine-based compound and organic light-emitting device including the same TYR, DOT1L, CRY1 ALDH1A1 12/4885HPGD 3332/4885CYP3A4 481/4885
US-20150303379-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 ALDH1A1 1688/4885HPGD 2860/4885CYP3A4 1731/4885

“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.