SCHEMBL2914640

SCHEMBL2914640

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.57
GABRB2 P47870 4/20 0.57
CA2 P00918 1/20 0.42
SHBG P04278 1/20 0.41
HSPA5 P11021 1/20 0.36
ATM Q13315 1/20 0.35
IAPP P10997 3/20 0.35
RIPK1 Q13546 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PTPN5 P54829 1/20 0.33
DAO P14920 1/20 0.33
DDO Q99489 1/20 0.33

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
SCHEMBL2914268 0.86 ALOX5 (0.46) GABRA1GABRB2CA2SHBGIAPP
SCHEMBL1833403 0.86 CA2 (0.56) GABRA1GABRB2CA2SHBGCYP3A4
SCHEMBL56747 0.85 GABRA1 (0.61) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL3216750 0.81 CA2 (0.45) GABRA1GABRB2CA2SHBGATM
SCHEMBL2914642 0.81 GABRA1 (0.52) GABRA1GABRB2CA2IAPPALOX5
SCHEMBL9577895 0.80 GABRA1 (0.67) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL57139 0.80 GABRA1 (0.67) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL11603727 0.80 CA2 (0.41) GABRA1GABRB2CA2SHBGCYP3A4
SCHEMBL2911405 0.79 GABRA1 (0.62) GABRA1GABRB2CA2SHBGATM
SCHEMBL18767597 0.79 CA2 (0.43) GABRA1GABRB2CA2SHBGRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-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.