SCHEMBL4138632

SCHEMBL4138632

c1ccc(N(c2ccccc2)c2ccc3c(c2)[nH]c2ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.55
ALDH1A1 P00352 2/20 0.52
GPR3 P46089 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KIF11 P52732 11/20 0.52
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 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
SCHEMBL31169686 1.00 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL11966153 0.94 ALDH1A1 (0.45) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL21181213 0.93 AHR (0.48) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL29407357 0.89 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL21368555 0.89 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL1689481 0.89 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL21368397 0.89 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL3333758 0.89 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
Carbazole SCHEMBL28132811 0.88 ALDH1A1 (0.67) AHRALDH1A1GPR3HSD17B10KIF11
Carbazole SCHEMBL1734120 0.88 ALDH1A1 (0.67) AHRALDH1A1GPR3HSD17B10KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024238699-A2 CHEMICAL FUNCTIONAL HOMOLOGUE SEARCH USING INCONSISTENT CANONICALIZED QUERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-11-21 WO disclosed
US-11877512-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-16 US disclosed
US-11877512-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-16 US disclosed
US-11877512-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-16 US disclosed
US-20220411411-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR PRODUCING ORGANIC LIGHT-EMITTING ELEMENT LT MATERIALS CO.,LTD. (KR) 2022-12-29 US disclosed
WO-2021133016-A2 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR PRODUCING ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2021-07-01 WO disclosed
US-20210098701-A1 LUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR LUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-04-01 US disclosed
US-20210098708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-04-01 US disclosed
US-20210098708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-04-01 US disclosed
US-20210098701-A1 LUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR LUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-04-01 US disclosed
WO-2014021569-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SK CHEMICALS CO., LTD. (KR) 2014-02-06 WO disclosed
US-8610345-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2013-12-17 US disclosed
US-8243113-B2 Ordinary-temperature-phosphorescent organic material, reversibly thermosensitive recording material, reversibly thermosensitive recording medium, and method of recording in reversibly thermosensitive recording medium NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2012-08-14 US disclosed
US-8243113-B2 Ordinary-temperature-phosphorescent organic material, reversibly thermosensitive recording material, reversibly thermosensitive recording medium, and method of recording in reversibly thermosensitive recording medium NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2012-08-14 US disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
US-20100328412-A1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20100328412-A1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP 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 (4 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-11877512-B2 Organic electroluminescence device and compound for organic electroluminescence device LEF1, PIEZO1, L1CAM AHR 2770/4885ALDH1A1 47/4885GPR3 3653/4885
US-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 AHR 49/4885ALDH1A1 1929/4885GPR3 564/4885
US-20210098701-A1 LUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR LUMINESCENCE DEVICE LUC7L2, BMI1, SIRT7 AHR 989/4885ALDH1A1 2075/4885GPR3 845/4885
US-20220411411-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR PRODUCING ORGANIC LIGHT-EMITTING ELEMENT CRY1, ODC1, ORC3 AHR 44/4885ALDH1A1 53/4885GPR3 3666/4885

“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.