SCHEMBL6409587

SCHEMBL6409587

O=C(O)C1CC1COC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.49
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GABRR1 P24046 3/20 0.40
GABRR2 P28476 1/20 0.40

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
SCHEMBL6409639 0.84 CYP3A4 (0.55) ALDH1A1CYP1A2SLC6A4SLC6A3
SCHEMBL6407056 0.82 CA1 (0.45) ALDH1A1
SCHEMBL6409515 0.81 CYP1A2 (0.39) CYP1A2SLC6A4SLC6A3
SCHEMBL6409506 0.79 FABP7 (0.44)
SCHEMBL10254312 0.74 FFAR4 (0.74) FFAR4
SCHEMBL10288771 0.74 FFAR4 (0.74) FFAR4
SCHEMBL13323586 0.73 GABRR1 (0.47) FFAR4GABRR1GABRR2
SCHEMBL25940397 0.73 GABRR1 (0.47) FFAR4GABRR1GABRR2
SCHEMBL13323636 0.73 GABRR1 (0.47) FFAR4GABRR1GABRR2
SCHEMBL5447182 0.71 FFAR4 (0.57) FFAR4ALDH1A1CYP1A2

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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 FFAR4 2429/4885GRM2 284/4885GRM3 1101/4885

“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.