SCHEMBL10056591

SCHEMBL10056591

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 4/20 0.42
NR1H2 P55055 15/20 0.40
NR1H3 Q13133 3/20 0.37

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
SCHEMBL10024687 0.89 NR1H2 (0.41) TNFRSF1ANR1H2NR1H3
SCHEMBL10057718 0.84 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL13587124 0.83 MEN1 (0.43) TNFRSF1ANR1H2
SCHEMBL10024683 0.79 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL17220645 0.74 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL333985 0.73 SLC16A3 (0.40) TNFRSF1A
SCHEMBL19785404 0.73 ALDH1A1 (0.45) NR1H2
SCHEMBL10056640 0.69 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL17220690 0.69 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL17220653 0.68 NR1H2 (0.65) 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 4 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
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 TNFRSF1A 1980/4885NR1H2 1668/4885NR1H3 1731/4885
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF TNNI3, TNNT2, NOS2 TNFRSF1A 2106/4885NR1H2 1774/4885NR1H3 1836/4885

“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.