SCHEMBL20162267

SCHEMBL20162267

COc1cc(CC(C(=O)OC(C)C)C(=O)OC(C)C)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MET P08581 2/20 0.43
ALOX5 P09917 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL20395550 0.85 LDHA (0.50) LDHAPKMKDM4EGAAALDH1A1
SCHEMBL20162240 0.85 CYP2D6 (0.39) LDHAKDM4EGAAALDH1A1CA12
SCHEMBL168609 0.84 FOS (0.63) LDHAGAAALDH1A1ALOX5LMNA
SCHEMBL491022 0.83 LDHA (0.47) LDHAPKMKDM4EGAAALDH1A1
SCHEMBL20395656 0.82 SMN1; SMN2 (0.41) LDHAPKMKDM4EGAAALDH1A1
SCHEMBL168595 0.82 LDHA (0.67) LDHAPKMKDM4EGAAALDH1A1
SCHEMBL934771 0.80 FOS (0.58) LDHAGAAALDH1A1KMT2AALOX5
SCHEMBL935389 0.78 HSD17B2 (0.56) LDHAKDM4EGAAALDH1A1KMT2A
SCHEMBL624795 0.76 FOS (0.50) PKMKDM4EGAAALDH1A1KMT2A
SCHEMBL18821891 0.76 PKM (0.50) LDHAPKMKDM4EGAAALDH1A1

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
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 LDHA 3865/4885PKM 3502/4885KDM4E 4372/4885

“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.