SCHEMBL13647598

SCHEMBL13647598

Oc1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 20/20 0.50
▸ ESR1 P03372 16/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL30859700 0.85 RAB9A (0.44) ESR2ESR1
SCHEMBL28906136 0.85 RAB9A (0.44) ESR2ESR1
SCHEMBL13647526 0.84 ESR2 (0.44) ESR2ESR1HDAC6
SCHEMBL24104165 0.81 TSHR (0.46) ESR2ESR1
SCHEMBL30859699 0.81 TSHR (0.46) ESR2ESR1
SCHEMBL10330386 0.78 NPC1 (0.44) HDAC6
SCHEMBL24104455 0.77 TSHR (0.45) ESR2ESR1
SCHEMBL30125673 0.77 TSHR (0.45) ESR2ESR1
SCHEMBL24104981 0.77 RAB9A (0.44) ESR2ESR1
SCHEMBL30859703 0.77 RAB9A (0.44) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 — — US disclosed
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 — — US disclosed
EP-1858976-B1 NOVEL POLYMERS BASF SE (DE) 2009-10-14 — — EP disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 — — US disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 — — 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-20090105447-A1 Novel Polymers PLEC, VIM, PUF60 ESR2 3142/4885ESR1 3344/4885HDAC6 1713/4885

“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.

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