SCHEMBL2510546

SCHEMBL2510546

O=Cc1cc(O)c(OCc2cccnc2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ CGAS Q8N884 3/20 0.43
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TBXAS1 P24557 3/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ APP P05067 1/20 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
SCHEMBL1414047 0.82 HSD17B10 (0.55) HSD17B10LMNA
SCHEMBL2514148 0.77 APP (0.49) LMNAMAOAMAOBAPP
SCHEMBL9393494 0.74 LMNA (0.59) LMNATHRATHRBMAOAMAOB
SCHEMBL3955227 0.74 THRA (0.57) LMNATHRATHRBMAOAMAOB
SCHEMBL2447904 0.73 CA12 (0.45) LMNAMAOAMAOB
SCHEMBL8131362 0.72 POLB (0.58) MAPK1LMNAMAOACYP19A1
SCHEMBL7865894 0.72 MAPK1 (0.56) MAPK1LMNACYP19A1
SCHEMBL4890146 0.72 THRA (0.74) HSD17B10TBXAS1THRATHRB
SCHEMBL9035635 0.71 MAOA (0.68) MAPK1LMNATHRBMAOAMAOB
SCHEMBL24140930 0.70 PTPN1 (0.54) LMNAMAOAMAOBHTR1A

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-8034945-B2 4-phenyl-5-OXO-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility N.V. ORGANON (NL) 2011-10-11 — — US disclosed
EP-1879580-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2009-03-11 — — EP disclosed
US-20080300270-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8,- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility MERCK SHARP & DOHME B.V. (NL) 2008-12-04 — — US disclosed
EP-1879580-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-23 — — EP disclosed
WO-2006117370-A1 4-PHENYL-5-OXO-l,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 — — 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-20080300270-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8,- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility FSHR, GNRHR, LHCGR HSD17B10 1718/4885CGAS 1579/4885MAPK1 714/4885

“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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