Allylbenzene

Allylbenzene

SCHEMBL793935

C=CCc1ccccc1.CC(C)c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR2 P34972 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
CYP2C19 P33261 1/20 0.39
CASR P41180 1/20 0.39
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
Allylbenzene SCHEMBL17500025 0.98 PTGS2 (0.47) PTGS2SMN1; SMN2MAOBALDH1A1TP53
SCHEMBL7193434 0.85 ALDH1A1 (0.52) PTGS2SMN1; SMN2ALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL29084614 0.83 MAOB (0.46) PTGS2SMN1; SMN2MAOBALDH1A1TP53
Allylbenzene SCHEMBL821993 0.83 SLC6A2 (0.50) PTGS2SMN1; SMN2MAOBALDH1A1TP53
Allylbenzene SCHEMBL10325179 0.82 MAOB (0.60) SMN1; SMN2MAOBALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL2478260 0.82 MAOB (0.60) SMN1; SMN2MAOBALDH1A1TP53CYP3A4
Allylbenzene SCHEMBL21274 0.82
SCHEMBL9500087 0.82 ALDH1A1 (0.46) PTGS2SMN1; SMN2MAOBALDH1A1TP53
SCHEMBL8018353 0.82 PTGS2 (0.50) PTGS2SMN1; SMN2ALDH1A1TP53CYP3A4
Naphthalene SCHEMBL15918862 0.81 MAOB (0.52) SMN1; SMN2MAOBALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112250609-A Alkylbenzene hydroperoxide production using dispersed bubbles of oxygen-containing gas 沙特基础工业全球技术有限公司 2021-01-22 CN disclosed
EP-3186215-B1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SABIC GLOBAL TECHNOLOGIES BV (NL) 2020-12-02 EP disclosed
EP-2935183-B1 PROCESS FOR MAKING PHENOL AND/OR CYCLOHEXANONE EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-01-30 EP disclosed
CN-108884250-A Compositions and methods for making sulfone polymer membranes 索尔维特殊聚合物意大利有限公司 2018-11-23 CN disclosed
US-10017440-B2 Method for controlling cleavage of hydroperoxides of alkylaromatic hydrocarbons SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-07-10 US 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-9815759-B2 Processes for producing phenol EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-14 US disclosed
US-20170233319-A1 METHOD FOR CONTROLLING CLEAVAGE OF HYDROPEROXIDES OF ALKYLAROMATIC HYDROCARBONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-08-17 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-3186215-A1 ALKYLBENZENE HYDROPEROXIDE PRODUCTION USING DISPERSED BUBBLES OF OXYGEN CONTAINING GAS SABIC Global Technologies B.V. (NL) 2017-07-05 EP disclosed
WO-2012036821-A1 PHENOL COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036823-A1 PHENOL AND CYCLOHEXANONE MIXTURES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036818-A1 CYCLOHEXANONE COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036820-A1 CYCLOHEXYLBENZENE HYDROPEROXIDE COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036828-A1 PROCESSES FOR PRODUCING PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036830-A1 CYCLOHEXYLBENZENE COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036826-A2 PROCESSES FOR PRODUCING PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2012036827-A1 PROCESSES FOR PRODUCING PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
WO-2005093010-A2 CONVERTING PROPYLENE IN AN OXYGENATE-CONTAMINATED PROPYLENE STREAM TO NON-POLYMERIZATION DERIVATIVE PRODUCTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-06 WO disclosed
US-20050209469-A1 Converting propylene in an oxygenate-contaminated propylene stream to non-polymerization derivative products EXXONMOBIL CHEMICAL PATENTS INC. 2005-09-22 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 (5 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 PTGS2 128/4885SMN1; SMN2 1615/4885MAOB 427/4885
US-20170233319-A1 METHOD FOR CONTROLLING CLEAVAGE OF HYDROPEROXIDES OF ALKYLAROMATIC HYDROCARBONS HMBS, OTUB1, CCNB1 PTGS2 861/4885SMN1; SMN2 3246/4885MAOB 19/4885
US-10017467-B2 Alkylbenzene hydroperoxide production using dispersed bubbles of oxygen containing gas SCO2, OTUB1, DUOX2 PTGS2 116/4885SMN1; SMN2 2220/4885MAOB 349/4885
US-20050209469-A1 Converting propylene in an oxygenate-contaminated propylene stream to non-polymerization derivative products HPD, HAO2, AKR7A2 PTGS2 62/4885SMN1; SMN2 3999/4885MAOB 2071/4885
US-10017440-B2 Method for controlling cleavage of hydroperoxides of alkylaromatic hydrocarbons HMBS, CCNB1, OTUB1 PTGS2 948/4885SMN1; SMN2 3310/4885MAOB 34/4885

“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.