SCHEMBL1174451

SCHEMBL1174451

CCc1ccc(C(C)(C)C)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
HSPA5 P11021 2/20 0.46
CA1 P00915 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL8678918 0.86 GABRA1 (0.50) CA2GABRA1GABRB2HSPA5LMNA
SCHEMBL10597480 0.85 CA2 (0.45) CA2GABRA1GABRB2HSPA5CA1
SCHEMBL23940954 0.85 CA2 (0.45) CA2GABRA1GABRB2HSPA5CA1
SCHEMBL430925 0.85 CA2 (0.45) CA2GABRA1GABRB2HSPA5CA1
SCHEMBL6404761 0.84 HSPA5 (0.44) CA2GABRA1GABRB2HSPA5CA1
SCHEMBL14830878 0.83 GABRA1 (0.46) CA2GABRA1GABRB2HSPA5CA1
SCHEMBL12943015 0.83 GABRA1 (0.46) CA2GABRA1GABRB2HSPA5SMN1; SMN2
SCHEMBL47580 0.83 CA2 (0.68) CA2GABRA1GABRB2HSPA5CA1
SCHEMBL45861 0.83 GABRA1 (0.68) GABRA1GABRB2HSPA5TYRALOX15
SCHEMBL30938109 0.83 CA2 (0.68) CA2GABRA1GABRB2HSPA5CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 US disclosed
US-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-7713955-B2 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. (US) 2010-05-11 US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 US disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 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-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 CA2 96/4885GABRA1 2969/4885GABRB2 2640/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD CA2 55/4885GABRA1 1494/4885GABRB2 2798/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP CA2 981/4885GABRA1 4259/4885GABRB2 4325/4885
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 CA2 212/4885GABRA1 3607/4885GABRB2 3467/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 CA2 479/4885GABRA1 2552/4885GABRB2 2799/4885

“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.