SCHEMBL20162277

SCHEMBL20162277

CCCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCCC)c1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HPGD P15428 1/20 0.47
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20162234 0.88 MAPT (0.51) MAPTHPGDKDM4ESMN1; SMN2LMNA
SCHEMBL20395687 0.85 MAPT (0.52) MAPTKDM4ESMN1; SMN2LMNANTSR1
SCHEMBL20162246 0.85 PTP4A3 (0.41) MAPTHPGDALOX5KDM4ELMNA
SCHEMBL23407459 0.81 ALOX5 (0.47) MAPTHPGDALOX5KDM4ESMN1; SMN2
SCHEMBL20395525 0.81 MAPT (0.58) MAPTHPGDLMNA
SCHEMBL23407467 0.79 ALOX5 (0.62) MAPTHPGDALOX5KDM4ESMN1; SMN2
SCHEMBL20395527 0.77 ALDH1A1 (0.45) ALOX5KDM4ELMNAHSD17B10
SCHEMBL23407462 0.76 ESR1 (0.43) MAPTALOX5KDM4ESMN1; SMN2LMNA
SCHEMBL23407471 0.76 MEN1 (0.57) MAPTHPGDKDM4ESMN1; SMN2LMNA
SCHEMBL20162273 0.76 MEN1 (0.51) MAPTLMNANPSR1

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 MAPT 1864/4885HPGD 1130/4885ALOX5 573/4885

“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.