SCHEMBL1727008

SCHEMBL1727008

Cc1ccccc1C=CC(=O)c1c(O)cccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.52
▸ PTGER3 P43115 4/20 0.52
▸ PTGER2 P43116 4/20 0.52
▸ PTGER1 P34995 3/20 0.52
▸ NFKB1 P19838 6/20 0.50
▸ NFKB2 Q00653 6/20 0.50
▸ RELA Q04206 6/20 0.50
▸ MAOB P27338 3/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC5A1 P13866 1/20 0.46
▸ SLC5A2 P31639 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45

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
SCHEMBL1727007 1.00 PTGER4 (0.52) PTGER4PTGER3PTGER2PTGER1NFKB1
SCHEMBL16928592 0.88 MAOB (0.59) PTGER4PTGER3PTGER2PTGER1MAOB
SCHEMBL16928593 0.88 MAOB (0.59) PTGER4PTGER3PTGER2PTGER1MAOB
SCHEMBL1728134 0.84 NFKB1 (0.65) NFKB1NFKB2RELAMAOBMAOA
SCHEMBL1728137 0.84 NFKB1 (0.65) NFKB1NFKB2RELAMAOBMAOA
SCHEMBL30383381 0.84 NFKB1 (0.61) NFKB1NFKB2RELAMAOBSLC5A1
SCHEMBL1728221 0.84 NFKB1 (0.61) NFKB1NFKB2RELAMAOBSLC5A1
SCHEMBL1728224 0.84 NFKB1 (0.61) NFKB1NFKB2RELAMAOBSLC5A1
SCHEMBL26605004 0.83 AURKA (0.61) MAOBMAOA
SCHEMBL25283130 0.82 NFKB1 (0.69) NFKB1NFKB2RELAMAOBMAOA

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
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 — — EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 — — EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 — — US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 — — EP 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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 PTGER4 2671/4885PTGER3 1802/4885PTGER2 2760/4885

“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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