SCHEMBL6408331

SCHEMBL6408331

COc1ccc(COCC2C(C)C2C(=O)Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNFRSF1A P19438 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
CCR9 P51686 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6405889 0.89 MRGPRX4 (0.36)
SCHEMBL6408832 0.87 RXRA (0.35)
SCHEMBL6406267 0.86 LPAR1 (0.36) POLBCA2ALDH1A1
SCHEMBL6408295 0.82 FFAR4 (0.40) TSPOHDAC4HDAC6POLBHTT
SCHEMBL6407225 0.81 MMP1 (0.37) TSPOHDAC4HDAC6POLBHTT
SCHEMBL6411754 0.81 SLC6A11 (0.36) TNFRSF1A
SCHEMBL6412629 0.81 SLC6A11 (0.36) TNFRSF1A
SCHEMBL6408787 0.79 L3MBTL1 (0.42) HDAC4HDAC6POLBHTTNPC1
SCHEMBL6415827 0.79 HTT (0.45) HDAC4HDAC6POLBHTTNPC1
SCHEMBL6407087 0.78 FABP7 (0.45) POLBHTTNPC1RAB9ASMN1; SMN2

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 TSPO 3255/4885HDAC4 2506/4885HDAC6 3301/4885

“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.