SCHEMBL9989368

SCHEMBL9989368

CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.49
FFAR1 O14842 1/20 0.49
TBXAS1 P24557 2/20 0.37
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
DUT P33316 1/20 0.34
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 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
SCHEMBL9989364 1.00 GPR84 (0.49) GPR84FFAR1TBXAS1ACACBACACA
SCHEMBL9989984 0.93 GPR84 (0.43) GPR84FFAR1TBXAS1DUTTET2
SCHEMBL9989980 0.93 GPR84 (0.43) GPR84FFAR1TBXAS1DUTTET2
SCHEMBL3179303 0.86 TET2 (0.38) GPR84FFAR1DUTTET2KDM4A
SCHEMBL3179292 0.86 TET2 (0.38) GPR84FFAR1DUTTET2KDM4A
SCHEMBL31240397 0.81 ACACB (0.39) GPR84FFAR1ACACBACACADUT
SCHEMBL31240225 0.81 ACACB (0.39) GPR84FFAR1ACACBACACADUT
SCHEMBL11292040 0.80 DUT (0.34) DUT
SCHEMBL6379670 0.80 DUT (0.34) DUT
SCHEMBL15902883 0.80 DUT (0.34) DUT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407447-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-04-18 EP disclosed
US-8552215-B2 Method for producing optically active 2-hydroxy ester and novel intermediate compound TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2013-10-08 US disclosed
US-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-12-29 US 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-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND CA7, HAO2, HACL2 GPR84 732/4885FFAR1 419/4885TBXAS1 179/4885

“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.