SCHEMBL21263

SCHEMBL21263

COc1cc(Cl)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
CYP1A1 P04798 6/20 0.50
CYP1B1 Q16678 6/20 0.50
AHR P35869 2/20 0.46
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2E1 P05181 2/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP4B1 P13584 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP3A5 P20815 2/20 0.44
CYP2A7 P20853 2/20 0.44
CYP3A7 P24462 2/20 0.44
CYP2F1 P24903 2/20 0.44
CYP2C18 P33260 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2J2 P51589 2/20 0.44

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
SCHEMBL1816933 0.97 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL811578 0.94 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL15521815 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL12231 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL19088278 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28493 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL15936165 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL1477524 0.82 ALDH1A1 (0.46) ALDH1A1AHRNQO2
SCHEMBL440836 0.82 CYP3A4 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL7667026 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1AHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119574738-A Method for detecting related substances in trimethylphloroglucinol 河北广祥制药有限公司 2025-03-07 CN claimed
CN-119555839-A Method for simultaneously measuring pharmaceutical grade intermediate 1,3, 5-trimethoxybenzene and related impurities 江苏宝众宝达药业股份有限公司 2025-03-04 CN claimed
CN-116813454-B Synthetic method of pterostilbene 珠海市柏瑞医药科技有限公司 2024-03-22 CN claimed
CN-117430569-A Synthesis method of 4, 6-dinitro-5, 7-diaminobenzofuroxan and 1,3, 5-triamino-2, 4, 6-trinitrobenzene 中国工程物理研究院化工材料研究所 2024-01-23 CN claimed
CN-113264837-B Energetic ion salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof 信阳师范学院 2023-09-29 CN claimed
CN-116813454-A Synthetic method of pterostilbene 珠海市柏瑞医药科技有限公司 2023-09-29 CN claimed
CN-113054253-B Overcharge-proof electrolyte of lithium ion battery 江西格林德能源有限公司 2022-08-12 CN claimed
CN-113264837-A Energetic ionic salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof 信阳师范学院 2021-08-17 CN claimed
CN-113054253-A Overcharge-proof electrolyte of lithium ion battery 江西格林德能源有限公司 2021-06-29 CN claimed
WO-2021096496-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-05-20 WO claimed
EP-3790862-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS Colorado State University Research Foundation (US) 2021-03-17 EP claimed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 CN claimed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US claimed
WO-2020036661-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-02-20 WO claimed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US claimed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
CN-118271158-B Method for synthesizing deuterium-labeled substance containing deuterium atom structural unit 山东大学 2026-05-12 CN disclosed
EP-0248420-A2 Benzopyran derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1987-12-09 EP disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 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-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS TYR, CRY2, CRY1 ALDH1A1 1574/4885CYP1A1 554/4885CYP1B1 530/4885

“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.