SCHEMBL6408787

SCHEMBL6408787

COc1ccc(COCC2C(C)C2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 2/20 0.38
CACNA1B Q00975 2/20 0.37
PLA2G4B P0C869 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC5A1 P13866 1/20 0.36

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
SCHEMBL6415827 0.87 HTT (0.45) NPC1POLBRAB9ASMN1; SMN2CA1
SCHEMBL21334700 0.86 L3MBTL1 (0.42) L3MBTL1CA1FABP7FABP5ALDH1A1
SCHEMBL6406523 0.86 L3MBTL1 (0.42) L3MBTL1CA1FABP7FABP5ALDH1A1
SCHEMBL6406976 0.84 PPARA (0.41) L3MBTL1
SCHEMBL6407087 0.84 FABP7 (0.45) NPC1POLBRAB9ASMN1; SMN2CA1
SCHEMBL6406461 0.83 FABP7 (0.49) L3MBTL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6408177 0.82 KMT2A (0.38) POLBCA2ALDH1A1MAPT
SCHEMBL6480399 0.80 ALDH1A1 (0.38) L3MBTL1NPC1RAB9ACA1CA2
SCHEMBL6408331 0.79 TSPO (0.36) L3MBTL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6411945 0.79 CACNA1B (0.43) NPC1RAB9ASMN1; SMN2CA1CA2

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 L3MBTL1 2735/4885NPC1 4011/4885POLB 905/4885

“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.