SCHEMBL2913386

SCHEMBL2913386

CC(C)(C)c1cc(CCCO)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
NR1I2 O75469 1/20 0.50
MIF P14174 1/20 0.50
TYR P14679 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IGF1R P08069 6/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
ALOX5 P09917 1/20 0.46
GAA P10253 1/20 0.46
BACE1 P56817 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 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
SCHEMBL6416102 0.95 ALOX15 (0.50) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL6568755 0.93 BCHE (0.49) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL6566972 0.93 BCHE (0.49) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL9246524 0.91 ALOX15 (0.55) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL3828797 0.89 ALDH1A1 (0.59) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL7199857 0.87 ALDH1A1 (0.59) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL29612324 0.86 HTT (0.52) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL673963 0.86 HTT (0.52) ALOX15ALDH1A1HTTLMNACYP2C9
SCHEMBL2911340 0.85 IGF1R (0.43) ALOX15ALDH1A1IGF1RKDM4EMAPT
SCHEMBL2916047 0.85 IGF1R (0.43) ALOX15ALDH1A1HTTIGF1RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825257-B1 Synthesis of benzotriazole monomer BAUSCH & LOMB INCORPORATED (US) 2010-11-02 US disclosed
EP-2110370-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-09-01 EP disclosed
EP-1348686-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
EP-2110370-A1 Method of producing p-hydroxyphenylalkanols Sumitomo Chemical Company, Limited (JP) 2009-10-21 EP disclosed
US-20050277700-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2005-12-15 US disclosed
CN-1572795-A Process for producing phosphite SUMITOMO CHEMICAL CO (JP) 2005-02-02 CN disclosed
EP-1484334-A2 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-08 EP disclosed
US-20040225145-A1 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-11 US disclosed
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-10-07 US disclosed
US-6717020-B2 HIGH YIELD REACTION OF PHENOLS AND UNSATURATED ALCOHOLS IN PRESENCE OF SUCH AS TITANIUM TETRAETHOXIDE AND SODIUM METHOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-06 US disclosed
WO-2003053897-A1 NON-HALOGENATED HYDROXYALKYL-SUBSTITUTED PHENOL COMPOUNDS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY LLC (US) 2003-07-03 WO disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed
EP-0131468-B1 ULTRAVIOLET ABSORBING POLYMERS COMPRISING 2-HYDROXY-5-ACRYLYLOXALKYLPHENYL-2H-BENZOTRIAZOLES IOLAB CORPORATION (US) 1990-01-17 EP disclosed
US-4611061-A 2'-hydroxy-5'-(hydroxyalkyl)phenyl-2H-benzotriazoles IOLAB CORPORATION (US) 1986-09-09 US disclosed
US-4528311-A Ultraviolet absorbing polymers comprising 2-hydroxy-5-acrylyloxyphenyl-2H-benzotriazoles IOLAB CORPORATION (US) 1985-07-09 US disclosed
EP-0131468-A2 Ultraviolet absorbing polymers comprising 2-hydroxy-5-acrylyloxalkylphenyl-2H-benzotriazoles IOLAB CORPORATION (US) 1985-01-16 EP 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 (3 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-20050277700-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO ALOX15 809/4885ALDH1A1 2039/4885HTT 193/4885
US-20040225145-A1 Process for producing phosphite PHOSPHO1, PLCG1, PLCG2 ALOX15 790/4885ALDH1A1 4488/4885HTT 4768/4885
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO ALOX15 809/4885ALDH1A1 2039/4885HTT 193/4885

“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.