SCHEMBL6583568

SCHEMBL6583568

Nc1c(Br)cc(Br)c2ccc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.40
ESR1 P03372 6/20 0.40
ESRRA P11474 2/20 0.40
ESRRB O95718 1/20 0.40
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
CA14 Q9ULX7 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 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
SCHEMBL6583614 0.82 CA1 (0.44) ESR2ESR1ESRRAESRRBMAPT
SCHEMBL6582947 0.75 AXL (0.46) ESR2ESR1ESRRAESRRBMAPT
SCHEMBL30783555 0.75 AXL (0.46) ESR2ESR1ESRRAESRRBMAPT
SCHEMBL30783550 0.75 AXL (0.46) ESR2ESR1ESRRAESRRBMAPT
SCHEMBL4880191 0.73 CTSB (0.55) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL30064912 0.73 CTSB (0.55) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL11805749 0.72 ALDH1A1 (0.47) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL29032220 0.71 AXL (0.41) ESR2ESR1ESRRAESRRBMAPT
SCHEMBL21359345 0.71 ALDH1A1 (0.37) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL25173247 0.67 CTSB (0.37) MAPTGAAALDH1A1HKDC1CA1

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-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 WO 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-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 ESR2 1288/4885ESR1 1491/4885ESRRA 2092/4885

“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.