SCHEMBL6409443

SCHEMBL6409443

COc1ccc(COCC2C(C(=O)OC(C)(C)C)C2(C)C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA2 P00918 2/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APLNR P35414 1/20 0.36
ABCB1 P08183 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
S1PR3 Q99500 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6412497 0.89 KMT2A (0.43) S1PR1MEN1KMT2ACA2ALDH1A1
SCHEMBL6474364 0.86 ALDH1A1 (0.49) S1PR1MEN1KMT2ACA2ALDH1A1
SCHEMBL6410180 0.85 CA2 (0.42) S1PR1MEN1KMT2ACA2ALDH1A1
SCHEMBL6408893 0.83 L3MBTL1 (0.41) MEN1KMT2ACA2ALDH1A1POLB
SCHEMBL6412672 0.82 S1PR1 (0.37) S1PR1MEN1KMT2ACA2ALDH1A1
SCHEMBL6406805 0.82 KMT2A (0.47) S1PR1MEN1KMT2ACA2ALDH1A1
SCHEMBL6408177 0.79 KMT2A (0.38) MEN1KMT2ACA2ALDH1A1TSHR
SCHEMBL6408847 0.78 FFAR1 (0.35)
SCHEMBL6410411 0.76 MAPT (0.44) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL6406120 0.74 L3MBTL1 (0.41) ALDH1A1TSHRNPSR1ABCB1

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 S1PR1 1639/4885MEN1 333/4885KMT2A 586/4885

“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.