SCHEMBL5259200

SCHEMBL5259200

CCCC[CH]CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32

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
SCHEMBL1524679 0.98 CYP1A2 (0.52) CYP1A2TSHRALDH1A1NOS1NOS2
SCHEMBL1524844 0.93 CYP1A2 (0.46) CYP1A2TSHRNOS1NOS2
SCHEMBL9213021 0.91 CYP1A2 (0.45) CYP1A2TSHR
SCHEMBL4167546 0.91
SCHEMBL9211184 0.90 CYP1A2 (0.48) CYP1A2TSHR
SCHEMBL9210732 0.90 CYP1A2 (0.48) CYP1A2TSHR
SCHEMBL892127 0.78 CYP1A2 (0.68) CYP1A2NOS1NOS2
SCHEMBL9207671 0.78 KMT2A (0.37) CYP1A2
SCHEMBL491261 0.75
SCHEMBL867426 0.75

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 EP disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 US disclosed
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
US-6977261-B2 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-20 US disclosed
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 EP disclosed
EP-1553949-A2 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-20 EP disclosed
US-6908917-B2 Chromone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-06-21 US disclosed
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
EP-1539709-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014868-A2 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014880-A1 CHROMONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (2 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-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 CYP1A2 576/4885TSHR 2911/4885ALDH1A1 153/4885
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 CYP1A2 2162/4885TSHR 4060/4885ALDH1A1 430/4885

“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.