SCHEMBL2179318

SCHEMBL2179318

Oc1ccc(C2=Cc3ccc(O)cc3OC2c2ccc(O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.61
ESR2 Q92731 10/20 0.61
PTGS1 P23219 1/20 0.40
APP P05067 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
YES1 P07947 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
CYP19A1 P11511 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36

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
SCHEMBL2184401 0.93 ESR1 (0.56) ESR1ESR2PTGS1APPTUBB4A
SCHEMBL2184444 0.93 ESR1 (0.55) ESR1ESR2PTGS1APPTUBB4A
SCHEMBL2181362 0.90 ESR1 (0.53) ESR1ESR2PTGS1APPCYP19A1
SCHEMBL2182897 0.89 ESR2 (0.61) ESR1ESR2APPCYP19A1
SCHEMBL2182687 0.86 ESR1 (0.50) ESR1ESR2PTGS1APP
SCHEMBL2184277 0.84 ESR1 (0.48) ESR1ESR2PTGS1APP
SCHEMBL2182453 0.83 ESR1 (0.48) ESR1ESR2CYP19A1
SCHEMBL23317775 0.82 ESR1 (0.47) ESR1ESR2CYP19A1
SCHEMBL23317714 0.82 ESR1 (0.47) ESR1ESR2APPCYP19A1
SCHEMBL2183376 0.81 ESR2 (0.44) ESR1ESR2PTGS1APP

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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US claimed

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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NFE2L2, PTGS2, PTGES2 ESR1 90/4885ESR2 8/4885PTGS1 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.