SCHEMBL2051891

SCHEMBL2051891

CCc1ccc2cc(O)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP2A6 P11509 1/20 0.61
TRPA1 O75762 1/20 0.52
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.46
DAO P14920 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ABL1 P00519 2/20 0.43
ABCB1 P08183 2/20 0.43

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
SCHEMBL29946528 1.00 CYP1A2 (0.61) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL2221672 0.93 CYP1A2 (0.59) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
Phosphonic Acid SCHEMBL27449397 0.90 CYP1A2 (0.52) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL347592 0.85 CYP2A6 (0.80) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL29407167 0.85 CYP2A6 (0.80) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
Hydroquinone SCHEMBL27528335 0.84 CYP1A2 (0.70) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL2046459 0.83 CNR1 (0.53) CYP1A2CYP2A6ESR1ESR2CYP3A4
SCHEMBL6349150 0.82 TRPA1 (0.64) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL16604790 0.81 ALOX5 (0.58) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL6885287 0.80 CYP2A6 (0.73) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874153-B Synthetic method of naphtho [2,1-d ] oxazole compound 湖南第一师范学院 2023-11-17 CN claimed
CN-114874153-A Synthetic method of naphtho [2,1-d ] oxazole compound 湖南第一师范学院 2022-08-09 CN claimed
CN-110734543-A naphthol modified phenolic resin and preparation method and application thereof 煤炭科学技术研究院有限公司 2020-01-31 CN claimed
CN-1561209-A Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same CYCLIS PHARMACEUTICALS INC (US) 2005-01-05 CN claimed
US-20240199881-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2024-06-20 US disclosed
EP-4381016-A1 METAL COMPLEX DYES FOR INKJET PRINTING Videojet Technologies Inc. (US) 2024-06-12 EP disclosed
CN-118043407-A Metal complex dyes for inkjet printing 录象射流技术公司 2024-05-14 CN disclosed
CN-114874153-B Synthetic method of naphtho [2,1-d ] oxazole compound 湖南第一师范学院 2023-11-17 CN disclosed
US-20230314945-A1 NEGATIVE-TONE RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2023-10-05 US disclosed
WO-2023014703-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2023-02-09 WO disclosed
CN-111732508-B Synthesis method of spiro compound 华东师范大学 2022-11-01 CN disclosed
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-09-29 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080161513-A1 Catalyst for Olefin Polymerization and Preparation Thereof and Polymerization Process YINGKOU XIANGYANG CATALYST CO., LTD. (CN) 2008-07-03 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
CN-1561209-A Pharmaceutical compositions containing beta-lapachone, or derivatives or analogs thereof, and methods of using same CYCLIS PHARMACEUTICALS INC (US) 2005-01-05 CN 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 (4 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA CYP1A2 3815/4885CYP2A6 3435/4885TRPA1 4171/4885
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI CYP1A2 1255/4885CYP2A6 929/4885TRPA1 3002/4885
US-20240199881-A1 METAL COMPLEX DYES FOR INKJET PRINTING TP53, RB1, MDM4 CYP1A2 235/4885CYP2A6 938/4885TRPA1 1256/4885
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX SERBP1, PPHLN1, VCAM1 CYP1A2 4565/4885CYP2A6 4657/4885TRPA1 4668/4885

“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.