SCHEMBL17244255

SCHEMBL17244255

C#CC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA7 P43166 1/20 0.61
TPMT P51580 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50

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
SCHEMBL17237287 0.86 TUBB4A (0.55) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17244292 0.84 ALDH1A1 (0.67) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17244290 0.84 HTT (0.65) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17244289 0.84 TAS1R3 (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30413049 0.81 CYP1A2 (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2124800 0.81 TSHR (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL976684 0.81 CYP1A2 (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4797626 0.79 TUBB4A (0.50) TSHRCYP3A4TPMTALDH1A1GAA
SCHEMBL17236952 0.79 ALDH1A1 (0.56) TSHRCYP3A4ALDH1A1MAPTPOLB
SCHEMBL27768829 0.79 TSHR (0.59) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943487-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF Universidad Miguel Hernández de Elche (ES) 2022-01-26 EP disclosed
CN-112300157-B Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-08-20 CN disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
EP-3406600-B1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF UNIV MIGUEL HERNANDEZ DE ELCHE (ES) 2021-03-31 EP disclosed
CN-112300157-A Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof 烟台大学 2021-02-02 CN disclosed
US-10905679-B2 TRPM8 receptor agonist compounds and uses thereof UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2021-02-02 US disclosed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20190022068-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2019-01-24 US disclosed
EP-3406600-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF Universidad Miguel Hernandez De Elche (ES) 2018-11-28 EP disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
EP-2942345-A1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES for the treatment of cancer Council of Scientific and Industrial Research (IN) 2015-11-11 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 (6 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-20190022068-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF TRPM8, TRPM7, TRPM5 TSHR 335/4885CYP1A2 1057/4885CYP3A4 1015/4885
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 TSHR 4417/4885CYP1A2 3333/4885CYP3A4 4034/4885
US-10905679-B2 TRPM8 receptor agonist compounds and uses thereof TRPM8, TRPM7, TRPM5 TSHR 335/4885CYP1A2 1057/4885CYP3A4 1015/4885
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA TSHR 297/4885CYP1A2 606/4885CYP3A4 762/4885
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS MCL1, HCCS, CASP3 TSHR 2485/4885CYP1A2 121/4885CYP3A4 29/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA TSHR 297/4885CYP1A2 606/4885CYP3A4 762/4885

“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.