SCHEMBL2408166

SCHEMBL2408166

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCC(=O)Oc1ccc(-c2sc3cc(OC(=O)CCNC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)ccc3c2C(=O)c2ccc(OCCC3CCCCN3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.42
ESR1 P03372 14/20 0.41
ESR2 Q92731 13/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ENPP1 P22413 2/20 0.39

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
SCHEMBL2408164 1.00 ENPP3 (0.42) ENPP3ESR1ESR2HDAC1HDAC6
SCHEMBL2404906 0.88 ENPP3 (0.42) ENPP3ESR1ESR2HDAC1HDAC6
SCHEMBL2407026 0.87 ENPP3 (0.41) ENPP3ESR1ESR2HDAC1HDAC6
SCHEMBL2408291 0.81 ENPP3 (0.40) ENPP3ESR1ESR2ENPP1
SCHEMBL5165217 0.81 ESR1 (0.52) ENPP3ESR1ESR2ENPP1
SCHEMBL2410318 0.80 ESR1 (0.54) ESR1ESR2HDAC1HDAC6
SCHEMBL2410326 0.80 ESR1 (0.54) ESR1ESR2HDAC1HDAC6
SCHEMBL2407034 0.79 ENPP3 (0.36) ENPP3ESR1ESR2HDAC1HDAC6
SCHEMBL2410405 0.79 ESR1 (0.55) ESR1ESR2HDAC1HDAC6
SCHEMBL2410401 0.79 ESR1 (0.55) ESR1ESR2HDAC1HDAC6

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-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 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 (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-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES ELOVL5, ELOVL3, ELOVL6 ENPP3 483/4885ESR1 7/4885ESR2 5/4885

“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.