Benzene

Benzene

SCHEMBL190107

CCC(C)OO.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
TRPA1 O75762 2/20 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
SCHEMBL124121 0.91
Bicarbonate SCHEMBL208216 0.86 MAPT (0.33) TSHRMAPT
Bicarbonate SCHEMBL1157519 0.86 MAPT (0.33) TSHRMAPT
Bicarbonate SCHEMBL2774047 0.83 MAPT (0.33) TSHRMAPT
Benzene SCHEMBL7448603 0.75 MAPK1 (0.40) TSHRMAPTLMNATRPA1
Benzene SCHEMBL864531 0.70 TSHR (0.32) TSHRLMNA
SCHEMBL9771947 0.69 TAAR1 (0.54) TSHRTRPA1
SCHEMBL27598609 0.69
SCHEMBL9340168 0.67 MAPK1 (0.30)
Benzene SCHEMBL17838434 0.67 TSHR (0.77) TSHRLMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186215-B1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SABIC GLOBAL TECHNOLOGIES BV (NL) 2020-12-02 EP claimed
US-10017467-B2 Alkylbenzene hydroperoxide production using dispersed bubbles of oxygen containing gas SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-07-10 US claimed
US-20170210708-A1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-07-27 US claimed
JP-4651612-B2 2011-03-16 JP claimed
US-7205442-B2 Method of making high purity phenol SHELL OIL COMPANY (US) 2007-04-17 US claimed
JP-2006517229-A 2006-07-20 JP claimed
EP-1594829-A1 METHOD OF MAKING HIGH PURITY PHENOL SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-11-16 EP claimed
WO-2004072008-A1 METHOD OF MAKING HIGH PURITY PHENOL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-08-26 WO claimed
US-20040158105-A1 Method of making high purity phenol SHELL OIL COMPANY 2004-08-12 US claimed
EP-3186215-B1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SABIC GLOBAL TECHNOLOGIES BV (NL) 2020-12-02 EP disclosed
US-10017467-B2 Alkylbenzene hydroperoxide production using dispersed bubbles of oxygen containing gas SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-07-10 US disclosed
US-20170210708-A1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-07-27 US disclosed
EP-2401248-B1 PROCESS FOR PRODUCING PHENOL EXXONMOBIL CHEM PATENTS INC (US) 2016-04-20 EP disclosed
US-8592634-B2 Process for producing phenol EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-11-26 US disclosed
WO-2004074227-A1 PROCESS FOR CLEAVAGE OF ANF OXIDATION MIXTURE COMPRISING HYDROPEROXIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-09-02 WO disclosed
WO-2004074227-A1 PROCESS FOR CLEAVAGE OF ANF OXIDATION MIXTURE COMPRISING HYDROPEROXIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-09-02 WO disclosed
WO-2004072008-A1 METHOD OF MAKING HIGH PURITY PHENOL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-08-26 WO disclosed
US-20040162446-A1 Process for low temperature cleavage of an oxidation mixture comprising hydroperoxides SHELL OIL COMPANY 2004-08-19 US disclosed
US-20040162446-A1 Process for low temperature cleavage of an oxidation mixture comprising hydroperoxides SHELL OIL COMPANY 2004-08-19 US disclosed
US-20040158105-A1 Method of making high purity phenol SHELL OIL COMPANY 2004-08-12 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-20170210708-A1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SCO2, DUOX2, OTUB1 TSHR 2970/4885MAPT 4875/4885LMNA 3282/4885
US-10017467-B2 Alkylbenzene hydroperoxide production using dispersed bubbles of oxygen containing gas SCO2, OTUB1, DUOX2 TSHR 3267/4885MAPT 4873/4885LMNA 3771/4885

“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.