SCHEMBL7035017

SCHEMBL7035017

OCC=C(CO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC3 O15379 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CES1 P23141 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
S1PR2 O95136 1/20 0.35

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
SCHEMBL11527446 0.82 HDAC1 (0.42) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL11527443 0.82 HDAC1 (0.42) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL2170750 0.82 ATM (0.43) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL2170748 0.82 ATM (0.43) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL17363836 0.82 ATM (0.43) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL30180287 0.80 HDAC1 (0.50) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL19362589 0.79 NQO2 (0.37) HDAC1HDAC2HDAC3NCOR2NQO2
SCHEMBL19362594 0.79 HDAC3 (0.36) HDAC1HDAC2HDAC3NCOR2NQO2
SCHEMBL24376117 0.78 HDAC1 (0.57) HDAC1HDAC2HDAC3NCOR2MAOA
SCHEMBL5873456 0.78 HDAC1 (0.57) HDAC1HDAC2HDAC3NCOR2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-04-03 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-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom ORMDL3, SGMS1, HEATR1 HDAC1 752/4885HDAC2 951/4885HDAC3 2453/4885

“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.