SCHEMBL2129348

SCHEMBL2129348

Cc1cc(C(C)(C)C)c(OC(=O)C2CC2CO)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.36
HSPA5 P11021 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
SCHEMBL295975 0.82 KDM4E (0.40) SMN1; SMN2
SCHEMBL6412674 0.80 ELANE (0.33)
SCHEMBL6408121 0.79 CHRNA7 (0.35)
SCHEMBL2126900 0.78 ALDH1A1 (0.35) VCAM1SMN1; SMN2
SCHEMBL6454244 0.77 TNFRSF1A (0.31)
SCHEMBL6412775 0.76 SLC6A11 (0.36)
SCHEMBL6406980 0.76 FFAR4 (0.43)
SCHEMBL6408295 0.76 FFAR4 (0.40)
SCHEMBL3999963 0.76 ATM (0.48) SMN1; SMN2
SCHEMBL6408936 0.75 VCAM1 (0.36) VCAM1HSPA5CYP2C9CYP2C19SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535895-B1 PROCESS FOR PRODUCTION OF FORMYLCYCLOPROPANECARBOXYLIC ESTERS SUMITOMO CHEMICAL CO (JP) 2012-04-25 EP disclosed
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
US-20050240050-A1 Process for production of formylcyclopropanecarboxylic ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-10-27 US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 EP disclosed
EP-1535895-A1 PROCESS FOR PRODUCTION OF FORMYLCYCLOPROPANECARBOXYLIC ESTERS Sumitomo Chemical Company, Limited (JP) 2005-06-01 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 (2 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 VCAM1 4740/4885HSPA5 1791/4885CYP2C9 278/4885
US-20050240050-A1 Process for production of formylcyclopropanecarboxylic ester AHCYL1, HACL2, CBR1 VCAM1 4407/4885HSPA5 3284/4885CYP2C9 105/4885

“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.