SCHEMBL6251346

SCHEMBL6251346

CCC1(c2ccc(O)cc2)CC1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.35
NR3C1 P04150 8/20 0.35
GRM2 Q14416 2/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
CA2 P00918 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
HSD11B1 P28845 2/20 0.33
PGR P06401 2/20 0.32
AR P10275 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B3 P37058 1/20 0.32

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
SCHEMBL6326792 0.78 ITGB3 (0.45) MIFGRM2GRM5GRM1CA2
SCHEMBL20459128 0.65 GFER (0.45) ESR1ESR2ALDH1A1
Hydroquinone SCHEMBL8616475 0.64 FFAR3 (0.59) NR3C1CA2CAMK2AESR1ESR2
Hydroquinone SCHEMBL9067666 0.64 FFAR3 (0.59) NR3C1CA2CAMK2AESR1ESR2
SCHEMBL23357092 0.64 MAOB (0.41) HSD11B1SLC6A2SLC6A4
Hydroquinone SCHEMBL10904652 0.62 CA2 (0.52) NR3C1CA2CAMK2AESR1ESR2
SCHEMBL10670175 0.61 ESR2 (0.41) ESR1ESR2SLC6A4CYP3A4
SCHEMBL6325366 0.61 ITGB3 (0.50) MIFCA2HSD11B1ALDH1A1
SCHEMBL21065268 0.61 ESR2 (0.41) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL16084399 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
WO-2005051904-A2 NOVEL PROCESSES FOR THE SYNTHESIS OF CYCLOPROPYL COMPOUNDS PHARMACIA CORPORATION (US) 2005-06-09 WO disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 MIF 1429/4885NR3C1 945/4885GRM2 1078/4885

“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.