SCHEMBL10057718

SCHEMBL10057718

COc1cc(OC)cc(-c2cc3c(CO)cc(OC)cc3n2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.43
NR1H3 Q13133 3/20 0.38
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35

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
SCHEMBL10024683 0.92 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL10056640 0.84 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL10056591 0.84 TNFRSF1A (0.42) NR1H2NR1H3
SCHEMBL10024687 0.83 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL10024681 0.76 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL19785404 0.70 ALDH1A1 (0.45) NR1H2
SCHEMBL13587124 0.69 MEN1 (0.43) NR1H2
SCHEMBL16727061 0.68 AKR1C3 (0.57)
SCHEMBL16727065 0.68 L3MBTL1 (0.50)
SCHEMBL17220690 0.67 NR1H2 (0.62) NR1H2NR1H3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097656-B2 Nitrogenated trans-stilbene analogs, method for the obtention and medical applications thereof Dominion Pharmakine S.L (ES) 2012-01-17 US disclosed
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2011-03-10 US disclosed
US-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof UNIVERSIDAD DEL PAIS VASCO (ES) 2009-12-03 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-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof TNNI3, TNNT2, INMT NR1H2 1668/4885NR1H3 1731/4885SLC16A3 2751/4885
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF TNNI3, TNNT2, NOS2 NR1H2 1774/4885NR1H3 1836/4885SLC16A3 2892/4885

“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.