SCHEMBL13779263

SCHEMBL13779263

CCOP(=O)(OCC)C(F)C=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
PPARD Q03181 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22639014 0.76 TSHR (0.43) TSHRLMNAALDH1A1MAPTTP53
SCHEMBL11774739 0.76 TSHR (0.43) TSHRLMNAALDH1A1MAPTTP53
SCHEMBL1527604 0.75 TSHR (0.48) TSHRTP53TDP1POLBKDM4E
SCHEMBL193239 0.75 TSHR (0.48) TSHRTP53TDP1POLBKDM4E
SCHEMBL11414697 0.74 TSHR (0.42) TSHRLMNAALDH1A1MAPTTP53
Bromide SCHEMBL31119163 0.73 TSHR (0.46) TSHRTP53TDP1POLBKDM4E
SCHEMBL10831649 0.73 TSHR (0.46) TSHRLMNAALDH1A1MAPTTP53
SCHEMBL11947800 0.73 TSHR (0.40) TSHRLMNAALDH1A1MAPTTP53
SCHEMBL12106799 0.71 TSHR (0.43) TSHRLMNAALDH1A1MAPTTP53
SCHEMBL14827441 0.70 TSHR (0.42) TSHRLMNAALDH1A1TP53TDP1

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-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 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-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TSHR 1547/4885LMNA 1098/4885ALDH1A1 336/4885

“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.