SCHEMBL6409639

SCHEMBL6409639

COC(=O)C1CC1COC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.55
TSHR P16473 11/20 0.55
CYP1A2 P05177 10/20 0.55
CYP2D6 P10635 4/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 10/20 0.50
CYP2C9 P11712 12/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL6407056 0.86 CA1 (0.45) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL6409515 0.85 CYP1A2 (0.39) CYP3A4TSHRCYP1A2CYP2D6HSD17B10
SCHEMBL6409587 0.84 FFAR4 (0.49) CYP1A2ALDH1A1SLC6A4SLC6A3
SCHEMBL6409506 0.80 FABP7 (0.44) MEN1KMT2A
SCHEMBL13323626 0.76 CYP1A2 (0.38) CYP3A4TSHRCYP1A2CYP2D6HSD17B10
SCHEMBL6408121 0.76 CHRNA7 (0.35)
SCHEMBL6406514 0.75 SLC6A4 (0.43) CYP3A4TSHRCYP1A2CYP2D6HSD17B10
SCHEMBL6411935 0.75 ALDH1A1 (0.50) TSHRCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL17407791 0.75 CPB1 (0.51) CYP3A4TSHRCYP1A2CYP2D6HSD17B10
SCHEMBL6407549 0.75 CPB1 (0.51) CYP3A4TSHRCYP1A2CYP2D6HSD17B10

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 CYP3A4 240/4885TSHR 1466/4885CYP1A2 58/4885

“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.