SCHEMBL660938

SCHEMBL660938

CC(C(=O)O)[C@H]1CC[C@H](c2ccc(O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.53
ESR1 P03372 6/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
HDAC2 Q92769 1/20 0.43
DEGS1 O15121 1/20 0.43
DGAT1 O75907 1/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL432492 1.00 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9HDAC2
SCHEMBL14379229 0.86 KCNH2 (0.48) DGAT1
SCHEMBL20838768 0.86 KCNH2 (0.48) DGAT1
SCHEMBL17025330 0.86 KCNH2 (0.48) DGAT1
SCHEMBL14379232 0.86 KCNH2 (0.48) DGAT1
SCHEMBL22102107 0.85 DGAT1 (0.42) CYP2C9DGAT1CYP2D6
SCHEMBL3539868 0.85 DGAT1 (0.42) ESR2CYP2C9DGAT1
SCHEMBL5032260 0.80 ESR2 (0.62) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL13009628 0.80 ESR2 (0.54) ESR2ESR1CYP3A4CYP2C9HDAC2
SCHEMBL27709005 0.80 ESR2 (0.54) ESR2ESR1CYP3A4CYP2C9HDAC2

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
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 ESR2 3697/4885ESR1 4281/4885CYP3A4 3870/4885

“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.