SCHEMBL462620

SCHEMBL462620

NCCCn1ccnc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.60
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
PLAA Q9Y263 1/20 0.44
TSHR P16473 1/20 0.43
ALPG P10696 1/20 0.43
PDE6D O43924 4/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL8910757 0.95 ESR1 (0.59) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL1306747 0.90 ESR1 (0.69) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL7095574 0.90 ESR1 (0.68) ESR1CYP3A4CYP2C19CYP2C9HIF1A
Hydrochloric Acid SCHEMBL10366282 0.88 ESR1 (0.67) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL9255222 0.84 ALDH1A1 (0.47) ESR1TSHRCA12CA1CA2
SCHEMBL462619 0.83 ESR1 (0.60) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL2399585 0.83 ESR1 (0.60) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL28039002 0.83 ESR1 (0.64) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL27850097 0.82 ESR1 (0.58) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL3833947 0.82 ESR1 (0.59) ESR1CYP3A4CYP2C19CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181377-A Cyclotriphosphazene-based flame-retardant imidazole curing agent and preparation method and application thereof 常州百思通复合材料有限公司 2022-03-15 CN claimed
CN-110016123-B Heat-resistant flame-retardant epoxy resin latent curing agent 广东固研电子材料有限公司 2021-07-09 CN claimed
CN-110016123-A A kind of heat-resisting flame-retardant epoxy resin lalent solidifying agent 广州市固研电子材料有限公司 2019-07-16 CN claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
US-7479527-B2 Polyepoxide and reaction product of aminoalkylimidazole, polyamine, urea and diepoxide as curing component FUJI KASEI KOGYO CO., LTD. (JP) 2009-01-20 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
US-20080033116-A1 One-Component Heat Curable Epoxide Composition FUJI KASEI KOGYO, CO., LTD. (JP) 2008-02-07 US claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-4747320-A1 THERMAL-AND UV-CURABLE (METH) ACRYLATE COMPOSITION Henkel AG & Co. KGaA (DE) 2026-05-27 EP disclosed
US-20260139157-A1 THERMAL-AND-UV-CURABLE (METH)ACRYLATE COMPOSITION HENKEL AG & CO KGAA (DE) 2026-05-21 US disclosed
EP-4526365-A1 ACRYLATE-EPOXY RESIN COMPOSITIONS Lyondellbasell Composites LLC (US) 2025-03-26 EP disclosed
WO-2025015542-A1 THERMAL-AND UV-CURABLE (METH) ACRYLATE COMPOSITION HENKEL AG & CO. KGAA (DE) 2025-01-23 WO disclosed
US-20240327582-A1 RAPID CURING EPOXY-RESIN COMPOSITION FOR FIBER-MATRIX SEMIFINISHED PRODUCTS POLYNT COMPOSITES NORWAY AS (NO) 2024-10-03 US disclosed
US-4555519-A Thromboxane synthetase enzyme inhibiting N-[(1H-imidazol-1-yl) and (1H-1,2,4-triazol-1-yl)alkyl]pyridinecarboxamides AMERICAN CYANAMID COMPANY (US) 1985-11-26 US disclosed
US-4489089-A INHIBITION OF THE ENZYME THROMBOXANE SYNTHETASE AMERICAN CYANAMID COMPANY (US) 1984-12-18 US disclosed
EP-0127727-A2 Substituted N-(omega-(1H-imidazol-1-yl)alkyl)) amides AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP disclosed
EP-0117462-A2 N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides AMERICAN CYANAMID COMPANY (US) 1984-09-05 EP disclosed
US-3987230-A GLASS FIBERS, EPOXY RESINS, PHENOLIC RESINS, PRINTED CIRCUITS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1976-10-19 US disclosed
US-3962184-A PROCESS FOR PREPARING CURED RESIN FROM CYANIC ACID ESTERS USING IMIDAZOLE CATALYSTS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1976-06-08 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 (2 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ESR1 1683/4885CYP3A4 192/4885CYP2C19 1078/4885
US-20260139157-A1 THERMAL-AND-UV-CURABLE (METH)ACRYLATE COMPOSITION MAT1A, MAT2B, MAT2A ESR1 1693/4885CYP3A4 3827/4885CYP2C19 3822/4885

“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.