SCHEMBL18381908

SCHEMBL18381908

O=C(O)/C=C/c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(CO)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.57
ESR1 P03372 15/20 0.57
ESRRA P11474 9/20 0.57
EGFR P00533 1/20 0.39
MIF P14174 1/20 0.35
CA12 O43570 1/20 0.34
AKR1B10 O60218 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
PKM P14618 1/20 0.34
TYR P14679 1/20 0.34
AKR1B1 P15121 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
DPP4 P27487 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL3054947 0.88 ESR2 (0.74) ESR2ESR1ESRRAMIFCA12
SCHEMBL3054952 0.88 ESR2 (0.74) ESR2ESR1ESRRAMIFCA12
SCHEMBL18386216 0.83 ESR2 (0.60) ESR2ESR1ESRRAEGFRDPP4
SCHEMBL3068441 0.78 ESR2 (0.55) ESR2ESR1ESRRA
SCHEMBL3068439 0.78 ESR2 (0.55) ESR2ESR1ESRRA
SCHEMBL14924032 0.78 ESR2 (0.74) ESR2ESR1ESRRA
SCHEMBL14924116 0.78 ESR1 (0.46) ESR2ESR1ESRRADPP4
SCHEMBL3068500 0.77 ESR1 (0.57) ESR2ESR1ESRRAMIFCA12
SCHEMBL3068502 0.77 ESR1 (0.57) ESR2ESR1ESRRAMIFCA12
SCHEMBL2585597 0.73 ESR2 (1.00) ESR2ESR1ESRRA

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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA ESR2 4/4885ESR1 28/4885ESRRA 3/4885

“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.