SCHEMBL12047342

SCHEMBL12047342

COc1ccc(CO[C@@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)C(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.36
TBXAS1 P24557 9/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM5A P29375 1/20 0.34

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
SCHEMBL12047343 0.82 HDAC2 (0.36) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4197217 0.78 ALDH1A1 (0.39) HDAC2ALDH1A1CYP2D6MAPTCYP2C19
SCHEMBL1751754 0.74 TDP1 (0.36) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL23648276 0.74 IDO1 (0.38) TBXAS1IDO1AGXT
SCHEMBL1750315 0.74 LDHA (0.35) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14980745 0.73 IDO1 (0.40) TBXAS1IDO1AGXT
SCHEMBL3828085 0.73 TDP1 (0.49) L3MBTL1ALDH1A1TDP1IDO1AGXT
SCHEMBL24799770 0.72 F2RL1 (0.54) ALDH1A1CYP3A4CYP2C19
SCHEMBL23648273 0.72 IDO1 (0.36) TBXAS1TDP1IDO1AGXT
SCHEMBL14587571 0.71 TBXAS1 (0.45) L3MBTL1TBXAS1TDP1

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 HDAC2 1507/4885HDAC3 838/4885HDAC4 960/4885

“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.