SCHEMBL7127844

SCHEMBL7127844

CCC(C)(O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CASR P41180 1/20 0.40
TSHR P16473 3/20 0.38
ACHE P22303 1/20 0.38
CHRM3 P20309 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CA2 P00918 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 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
SCHEMBL19130505 1.00 GABRA1 (0.42) GABRA1GABRB2CASRTSHRACHE
SCHEMBL7574531 0.86 TSHR (0.42) GABRA1GABRB2TSHRHSP90AA1HSP90AB1
SCHEMBL3641431 0.83 GABRA1 (0.42) GABRA1GABRB2CASRTSHRACHE
SCHEMBL11102781 0.80 CD44 (0.42) GABRA1GABRB2CASRHSP90AA1HSP90AB1
SCHEMBL10599295 0.80 ALDH1A1 (0.38) GABRA1GABRB2TSHRHSP90AA1HSP90AB1
SCHEMBL13462898 0.80 TSHR (0.39) GABRA1GABRB2CASRTSHRACHE
SCHEMBL7550163 0.78 ALDH1A1 (0.58) GABRA1GABRB2TSHRHSP90AA1HSP90AB1
SCHEMBL18766199 0.78 MEN1 (0.47) GABRA1GABRB2CASRHSP90AA1ALDH1A1
SCHEMBL4352221 0.77 TSHR (0.41) GABRA1GABRB2CASRTSHRACHE
SCHEMBL24538831 0.77 RIPK1 (0.40) TSHRHSP90AA1HSP90AB1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660884-B2 Catalyst promote synthesis of tertiary alcohols with enantioselectivity; Bicyclo(2.2.1)heptane-1-methane sulfonamide-N,N'-(1S,2S)-1,2-cyclohexanediylbis(2-hydroxy-7,7-dimethyl) -(1R,1'R,2S,2'S,4S,4'S) THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-12-09 US disclosed
US-20030191345-A1 CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2003-10-09 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 (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-20030191345-A1 CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY COASY, HMGCR, ALKBH1 GABRA1 3670/4885GABRB2 3649/4885CASR 4778/4885

“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.