SCHEMBL714956

SCHEMBL714956

COC(=C(C(=O)O)C(=O)O)c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.56
CTSD P07339 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HPGD P15428 3/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HTT P42858 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL540772 0.84 STAT3 (0.54) STAT3CTSDNPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL11853756 0.83 STAT3 (0.53) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL5486501 0.78 RAB9A (0.57) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL615386 0.78 RAB9A (0.57) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL9134542 0.77 CTSD (0.53) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL31022703 0.77 CTSD (0.53) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL2036451 0.77 CTSD (0.52) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL4621633 0.77 STAT3 (0.58) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL29875455 0.77 STAT3 (0.58) STAT3CTSDNPC1RAB9AHPGD
SCHEMBL3527 0.77 HTT (0.78) STAT3CTSDNPC1RAB9AHPGD

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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 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 (2 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 STAT3 3571/4885CTSD 451/4885NPC1 716/4885
US-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH STAT3 2878/4885CTSD 283/4885NPC1 456/4885

“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.