Allylbenzene

Allylbenzene

SCHEMBL253102

C=CCc1ccccc1.CCOCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.48
TP53 P04637 3/20 0.48
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAOB P27338 1/20 0.44
CNR2 P34972 1/20 0.42
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.37
AR P10275 1/20 0.37

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 SCHEMBL27445850 0.85 ALDH1A1 (0.59) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL28177245 0.85 MAOB (0.50) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL28198945 0.84 MAOB (0.55) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL21274 0.84
Allylbenzene SCHEMBL2478260 0.84 MAOB (0.60) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL10325179 0.84 MAOB (0.60) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL876405 0.83 MAOB (0.48) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL11226285 0.83 TP53 (0.64) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL28644650 0.82 MAOB (0.52) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Allylbenzene SCHEMBL28635869 0.82 MAOB (0.52) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905772-A A kind of digit printing pigment ink and preparation method thereof 青岛农业大学 2017-06-30 CN claimed
US-20240008967-A1 Method of Electrochemically Boosting Tooth Whitening COLGATE-PALMOLIVE COMPANY (US) 2024-01-11 US disclosed
WO-2023235637-A1 HYDROPHOBIC AND HYDROPHILIC MODIFIED MALEATED NATURAL OILS AND COMPOSITIONS THEREOF ISP INVESTMENTS LLC (US) 2023-12-07 WO disclosed
WO-2023161762-A1 PREVENTION OF VIRUS TRANSMISSION WITH APPLICATION OF A COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-08-31 WO disclosed
EP-4203844-A1 METHOD OF ELECTROCHEMICALLY BOOSTING TOOTH WHITENING Colgate-Palmolive Company (US) 2023-07-05 EP disclosed
US-11576845-B2 Methods of removing spores comprising alcohol, acrylate copolymer particles, and a cationic coated article 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-14 US disclosed
US-20220401335-A1 SILK HAIR CARE COMPOSITIONS EVOLVED BY NATURE, INC. (US) 2022-12-22 US disclosed
EP-4017537-A1 SILK PERSONAL CARE COMPOSITIONS Evolved by Nature, Inc. (US) 2022-06-29 EP disclosed
US-20220125701-A1 SKIN CARE COMPOSITIONS COMPRISING A TERPOLYMER, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-04-28 US disclosed
WO-2022046694-A1 METHOD OF ELECTROCHEMICALLY BOOSTING TOOTH WHITENING COLGATE-PALMOLIVE COMPANY (US) 2022-03-03 WO disclosed
US-20050084471-A1 Concentrated antimicrobial compositions and methods 3M INNOVATIVE PROPERTIES COMPANY 2005-04-21 US disclosed
US-20050058673-A1 Antimicrobial compositions and methods 3M INNOVATIVE PROPERTIES COMPANY 2005-03-17 US disclosed
WO-2005023023-A1 CONCENTRATED ANTIMICROBIAL COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-17 WO disclosed
WO-2005023233-A2 ANTIMICROBIAL COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-17 WO disclosed
US-20050025794-A1 Film-forming compositions and methods 3M INNOVATIVE PROPERTIES COMPANY 2005-02-03 US disclosed
US-6838078-B2 Film-forming compositions and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-04 US disclosed
EP-1465491-A1 ANTISEPTIC COMPOSITIONS AND METHODS 3M Innovative Properties Company (US) 2004-10-13 EP disclosed
US-20030194447-A1 I2 and/or an iodophor to provide an available iodine concentration of at least 0.25 wt-%; a hydroxycarboxylic acid buffer; water; and a substantive film-forming polymer. 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US disclosed
US-20030194415-A1 Film-forming compositions and methods 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US disclosed
WO-2003061389-A1 ANTISEPTIC COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-07-31 WO 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-20050084471-A1 Concentrated antimicrobial compositions and methods SHARPIN, PIK3C3, SRM ALDH1A1 1797/4885TSHR 3709/4885TP53 4091/4885
US-11576845-B2 Methods of removing spores comprising alcohol, acrylate copolymer particles, and a cationic coated article ACR, CUTA, PRKDC ALDH1A1 1340/4885TSHR 2090/4885TP53 2850/4885
US-20220401335-A1 SILK HAIR CARE COMPOSITIONS CUTA, KRT18, MATR3 ALDH1A1 3906/4885TSHR 4397/4885TP53 2027/4885
US-20050025794-A1 Film-forming compositions and methods VCL, PUF60, PHOSPHO1 ALDH1A1 1923/4885TSHR 4650/4885TP53 2144/4885
US-20050058673-A1 Antimicrobial compositions and methods FABP2, CUTA, LIPA ALDH1A1 2348/4885TSHR 4540/4885TP53 2306/4885
US-20030194415-A1 Film-forming compositions and methods VCL, PUF60, PHOSPHO1 ALDH1A1 1923/4885TSHR 4650/4885TP53 2144/4885

“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.