Benzene

Benzene

SCHEMBL4576547

CC(C)OC(C)C.c1ccccc1

nearest known ligand 0.32

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10940023 0.85
SCHEMBL1296 0.85
SCHEMBL1331944 0.85
SCHEMBL7240952 0.85
Pyridine SCHEMBL9720602 0.80 TSHR (0.53)
Hexane SCHEMBL9205162 0.80 TSHR (0.39)
Biphenyl SCHEMBL8635297 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1
SCHEMBL14973371 0.80
Water SCHEMBL2929026 0.80
SCHEMBL16345057 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1182089-A Hydrogenizing method of metallocene HOECHST AG (DE) 1998-05-20 CN claimed
CN-109665981-B Preparation method of caprolactam 中国石油化工股份有限公司 2024-05-17 CN disclosed
CN-117164541-A Method for separating and purifying mevastatin from mevastatin mother liquor 黑龙江华瑞生物科技有限公司 2023-12-05 CN disclosed
CN-109665995-B Refining method of caprolactam crude product and preparation method of caprolactam 中国石油化工股份有限公司(CN) 2023-01-13 CN disclosed
EP-3368513-B1 PROCESS FOR THE SYNTHESIS OF PIRFENIDONE PROCOS SPA (IT) 2021-04-14 EP disclosed
CN-109665997-B Preparation method of caprolactam 中国石油化工股份有限公司 2021-01-08 CN disclosed
US-10472325-B2 Process for the synthesis of pirfenidone PROCOS S.P.A. (IT) 2019-11-12 US disclosed
CN-109665997-A A kind of preparation method of caprolactam 中国石油化工股份有限公司 2019-04-23 CN disclosed
CN-109665981-A A kind of preparation method of caprolactam 中国石油化工股份有限公司 2019-04-23 CN disclosed
CN-109665995-A The refining methd of caprolactam crude product and the preparation method of caprolactam 中国石油化工股份有限公司 2019-04-23 CN disclosed
US-4259494-A ANTIHISTAMINIC, ANTITUSSIVE, ANTIINFLAMMATORY, SEDATIVE, DIURETIC WARNER-LAMBERT COMPANY (US) 1981-03-31 US disclosed
US-4205074-A Anti-spasmodic substituted quinolizidine and indolizidine compounds HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1980-05-27 US disclosed
US-4110448-A ANTIHISTAMINE, ANTITUSSIVE, ANTIINFLAMMATORY, SEDATIVE, DIURETIC WARNER-LAMBERT COMPANY (US) 1978-08-29 US disclosed
US-4076723-A ANTIHISTAMINES, ANTITUSSIVE AGENTS, ANTIINFLAMMATORY AGENTS, SEDATIVES, DIURETICS WARNER-LAMBERT COMPANY (US) 1978-02-28 US disclosed
US-4073930-A Carbamoyloximes and oximes and insecticidal and miticidal compositions and methods employing them UNION CARBIDE CORPORATION (US) 1978-02-14 US disclosed
US-4033981-A ANTIHISTOMINIC, ANTIINFLAMMATORY, SEDATIVES, DIURETICS WARNER-LAMBERT COMPANY (US) 1977-07-05 US disclosed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-3992376-A ANTIHISTAMINES, ANTITUSSIVES, SEDATIVES, ANTIINFLAMMATORY AGENTS AND DIURETICS WARNER-LAMBERT COMPANY (US) 1976-11-16 US disclosed
US-3978052-A ANTIHISTAMINIC, ANTITUSSIVE, ANTIINFLAMMATORY, DIURETIC WARNER-LAMBERT COMPANY (US) 1976-08-31 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 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-10472325-B2 Process for the synthesis of pirfenidone PNPO, NUDT1, PIR ALDH1A1 112/4885L3MBTL1 4128/4885

“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.