SCHEMBL3866477

SCHEMBL3866477

CC(C)(C)c1cccc2c1[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 1.00
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GPR3 P46089 1/20 0.48
MAPT P10636 4/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47

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
SCHEMBL29361061 1.00 KIF11 (1.00) KIF11ALDH1A1HSD17B10GPR3MAPT
SCHEMBL29931435 0.98 KIF11 (0.96) KIF11ALDH1A1HSD17B10GPR3MAPT
Water SCHEMBL28120324 0.96 KIF11 (0.93) KIF11ALDH1A1HSD17B10GPR3MAPT
SCHEMBL27954019 0.95 KIF11 (0.90) KIF11ALDH1A1HSD17B10GPR3MAPT
Boric Acid SCHEMBL28474551 0.93 KIF11 (0.87) KIF11ALDH1A1HSD17B10GPR3MAPT
Phenazine SCHEMBL28676092 0.90 KIF11 (0.81) KIF11ALDH1A1HSD17B10GPR3MAPT
Dibenzothiophene SCHEMBL28150944 0.90 KIF11 (0.81) KIF11ALDH1A1HSD17B10GPR3MAPT
SCHEMBL28914343 0.89 KIF11 (0.79) KIF11ALDH1A1HSD17B10MAPTGABRP
Dibenzofuran SCHEMBL28138157 0.89 KIF11 (0.79) KIF11ALDH1A1HSD17B10GPR3MAPT
Benzophenone SCHEMBL28302559 0.86 KIF11 (0.74) KIF11ALDH1A1MAPTJAK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504815-A Boron-nitrogen compound, preparation method, light-emitting layer, organic electroluminescent device and display device 季华实验室 2025-02-25 CN claimed
CN-118388449-A Photocatalyst with space charge transfer property and preparation method and application thereof 广东工业大学 2024-07-26 CN claimed
CN-117264001-A Excited state intramolecular proton transfer induced delayed fluorescence probe molecule, preparation and application thereof 中国医学科学院药物研究所 2023-12-22 CN claimed
CN-116444502-A Organic light-emitting compound containing dibenzosuberone, preparation method and application 华南理工大学 2023-07-18 CN claimed
CN-114671854-B High-solubility electron acceptor material and preparation method and application thereof 电子科技大学 2023-04-28 CN claimed
CN-113248487-B Carbazole/oxadiazole-based thermal activation delayed fluorescence material and preparation method and application thereof 南京工业大学 2023-04-07 CN claimed
US-11401465-B2 Thermally activated delayed fluorescent and synthesizing method thereof WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2022-08-02 US claimed
CN-111646942-B Heat activation delayed fluorescence probe molecule, preparation thereof and application thereof in cell imaging 中国医学科学院药物研究所 2022-07-19 CN claimed
CN-114671854-A High-solubility electron acceptor material and preparation method and application thereof 电子科技大学 2022-06-28 CN claimed
CN-113801102-A Phenazinyl-based compound and preparation method and application thereof 上海交通大学 2021-12-17 CN claimed
CN-106883268-A Based on phosphine oxygen, the triazines exciplex material of carbazole and its preparation method and application 黑龙江大学 2017-06-23 CN claimed
CN-106831861-A A kind of fluorenes and carbazole analog derivative and phosphorescent organic electroluminescent device 武汉华星光电技术有限公司 2017-06-13 CN claimed
CN-103641856-B Multifunctional modified tert-butyl carbazole phosphine oxide main material and synthesis method and application thereof 黑龙江大学 2017-01-25 CN claimed
CN-104212439-B A kind of photoelectric functional material containing N-P=S resonant structure, preparation method and application 南京邮电大学 2016-08-17 CN claimed
CN-105399662-A Pyridyl bifluorene derivative blue light main body material preparation method UNIV NANJING POSTS & TELECOMMUNICATIONS 2016-03-16 CN claimed
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors ZAMBON GROUP S.P.A 2004-03-04 US claimed
EP-1042300-B1 PHTHALAZINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-02-11 EP claimed
US-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 US claimed
EP-1042300-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-10-11 EP claimed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO claimed

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-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors PDE5A, PDE3B, PDE3A KIF11 2617/4885ALDH1A1 780/4885HSD17B10 2137/4885

“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.