SCHEMBL9989984

SCHEMBL9989984

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
DUT P33316 2/20 0.35
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
TET3 O43151 1/20 0.35
TBXAS1 P24557 2/20 0.33
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL9989980 1.00 GPR84 (0.43) GPR84FFAR1DUTTET2KDM4A
SCHEMBL9989368 0.93 GPR84 (0.49) GPR84FFAR1DUTTET2KDM4A
SCHEMBL9989364 0.93 GPR84 (0.49) GPR84FFAR1DUTTET2KDM4A
SCHEMBL3179303 0.89 TET2 (0.38) GPR84FFAR1DUTTET2KDM4A
SCHEMBL3179292 0.89 TET2 (0.38) GPR84FFAR1DUTTET2KDM4A
SCHEMBL838771 0.83 CA1 (0.35) DUT
SCHEMBL28580283 0.81 GSR (0.43)
SCHEMBL12096026 0.80 DUT (0.36) DUT
SCHEMBL7082396 0.79 TDP1 (0.34) DUT
SCHEMBL6393715 0.78 DUT (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 419/4885DUT 1612/4885

“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.