SCHEMBL56747

SCHEMBL56747

CCc1cccc(C(C)(C)CC)c1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.61
GABRB2 P47870 5/20 0.61
CA2 P00918 1/20 0.45
RIPK1 Q13546 3/20 0.40
HSPA5 P11021 1/20 0.38
ATM Q13315 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
IAPP P10997 2/20 0.36
PTPN5 P54829 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL24512510 0.90 GABRA1 (0.48) GABRA1GABRB2CA2RIPK1HSPA5
SCHEMBL56491 0.87 CA2 (0.58) GABRA1GABRB2CA2RIPK1ESR1
SCHEMBL2914640 0.85 GABRA1 (0.57) GABRA1GABRB2CA2RIPK1HSPA5
SCHEMBL9577895 0.83 GABRA1 (0.67) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL57139 0.83 GABRA1 (0.67) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL4493446 0.82 CA2 (0.46) GABRA1GABRB2CA2ATMIAPP
Propane SCHEMBL28225674 0.82 GABRA1 (0.64) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL12943015 0.82 GABRA1 (0.46) GABRA1GABRB2CA2RIPK1HSPA5
SCHEMBL2916950 0.82 CA2 (0.71) GABRA1GABRB2CA2ATMALDH1A1
SCHEMBL11806035 0.81 GABRA1 (0.44) GABRA1GABRB2RIPK1ATMALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812543-B2 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORP (US) 2014-03-05 EP disclosed
US-8129325-B2 mononuclear phenolic compound free of unsaturation, such as 2,6-Di-tert-butyl-4-methylphenol as stabilizer; use cold cleaning of electrical and mechanical parts ALBERMARLE CORPORATION (US) 2012-03-06 US disclosed
CN-101171218-B 1-bromopropane having low acidity ALBEMARLE CORP. (US) 2011-12-07 CN disclosed
CN-101052704-B Stabilized propyl bromide compositions ALBEMARLE CORP 2011-03-23 CN disclosed
EP-2110370-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-09-01 EP disclosed
EP-1812543-B1 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORP (US) 2010-04-21 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-20090253608-A1 Stabilized Propyl Bromide Compositions ALBEMARLE CORPORATION (US) 2009-10-08 US disclosed
US-20080177116-A1 1-Bromopropane Having Low Acidity ALBEMARLE CORPORATION (US) 2008-07-24 US disclosed
CN-101171218-A 1-bromopropane having low acidity ALBEMARLE CORP (US) 2008-04-30 CN disclosed
EP-1883615-A2 1-BROMOPROPANE HAVING LOW ACIDITY ALBEMARLE CORPORATION (US) 2008-02-06 EP disclosed
CN-101052704-A Stabilized propyl bromide compositions ALBEMARLE CORP (US) 2007-10-10 CN disclosed
EP-1812543-A1 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORPORATION (US) 2007-08-01 EP disclosed
WO-2006119212-A2 1-BROMOPROPANE HAVING LOW ACIDITY ALBEMARLE CORPORATION (US) 2006-11-09 WO disclosed
WO-2006052241-A1 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORPORATION (US) 2006-05-18 WO 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
US-20030195379-A1 Method of producing p-Hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-16 US disclosed
EP-1348686-A1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-01 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-20090253608-A1 Stabilized Propyl Bromide Compositions PGGT1B, TERB1, NFKB2 GABRA1 1329/4885GABRB2 277/4885CA2 3674/4885
US-20080177116-A1 1-Bromopropane Having Low Acidity BET1, BRD1, BRD4 GABRA1 117/4885GABRB2 395/4885CA2 634/4885
US-20030195379-A1 Method of producing p-Hydroxyphenylalkanols ADH1C, NR1H3, ADH5 GABRA1 4187/4885GABRB2 4176/4885CA2 354/4885

“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.