SCHEMBL840950

SCHEMBL840950

CC(C)(O)C(C)(C)OB(O)c1ccccc1N

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ADRA2B P18089 1/20 0.31
PTGS1 P23219 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FDPS P14324 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CFTR P13569 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5899432 0.82 TSHR (0.36) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL16964464 0.81 IDO1 (0.38) ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL22684752 0.81 ENPP2 (0.33) ENPP2ORAI1ORAI2ORAI3
SCHEMBL5952272 0.79 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3
SCHEMBL4520012 0.79 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3
SCHEMBL3426496 0.79 ALDH1A1 (0.38) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL15057694 0.79 SMN1; SMN2 (0.38) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL9994951 0.79 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL9994954 0.79 CD44 (0.36) CYP3A4
SCHEMBL3465794 0.78 ENPP2 (0.56) ENPP2ORAI1ORAI2ORAI3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192265-A Benzocycloheptanonocarbazole derivative and preparation method and application thereof 西安欧得光电材料有限公司 2025-06-24 CN claimed
CN-119500123-B Core-shell structure Au@CeO2Nanometer catalyst and preparation method and application thereof 黄山加佳荧光材料有限公司 2025-05-30 CN claimed
CN-119977939-A Synthesis method of 1, 9-dihalogenated dibenzothiophene derivative 西安欧得光电材料有限公司 2025-05-13 CN claimed
CN-119500123-A Core-shell structure Au@CeO2Nanometer catalyst and preparation method and application thereof 黄山加佳荧光材料有限公司 2025-02-25 CN claimed
CN-118684621-A Diphenylamine bridged pyridine compound, ruthenium complex, preparation method thereof and application thereof in methylation reaction 河北师范大学 2024-09-24 CN claimed
CN-117402383-A Fiber reinforced composite plastic and preparation method thereof 慈溪市跃隆五金塑料有限公司 2024-01-16 CN claimed
CN-110964046-B Synthesis method of 2-nitrobenzoic acid pinacol ester 安徽英特美科技有限公司 2023-05-05 CN claimed
CN-111233910-B Preparation method of T-shaped nitrogen boron nitrogen hetero diphenyl phenalene derivative 上海交通大学 2022-04-22 CN claimed
CN-113387817-A Fluorine-containing aromatic diamine compound, preparation method thereof and colorless transparent polyimide film 中国科学院长春应用化学研究所 2021-09-14 CN claimed
CN-111039966-B Preparation method of nitrogen-boron-nitrogen hetero-double-spiro molecule 上海交通大学 2021-09-07 CN claimed
CN-113136020-A Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof 万华化学集团股份有限公司 2021-07-20 CN claimed
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 CN claimed
CN-111381459-A Photoresist cleaning solution 安集微电子科技(上海)股份有限公司 2020-07-07 CN claimed
CN-111381458-A Photoresist cleaning solution 安集微电子科技(上海)股份有限公司 2020-07-07 CN claimed
CN-111233910-A Preparation method of T-shaped nitrogen boron nitrogen hetero diphenyl phenalene derivative 上海交通大学 2020-06-05 CN claimed
CN-111039966-A Preparation method of nitrogen-boron-nitrogen hetero-double-spiro molecule 上海交通大学 2020-04-21 CN claimed
CN-110964046-A Synthesis method of 2-nitrophenylboronic acid pinacol ester 蚌埠中实化学技术有限公司 2020-04-07 CN claimed
CN-122080838-A High-performance yellowing-resistant TPU (thermoplastic polyurethane) interlayer for laminated glass and preparation method thereof 2026-05-26 CN disclosed
US-20070190359-A1 Metal complexes of cyclometallated imidazo[1,2-ƒ]phenanthridine and diimidazo[1,2-a:1',2'-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION 2007-08-16 US disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 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-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER ENPP2 3036/4885ORAI1 3437/4885ORAI2 4076/4885

“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.