SCHEMBL6447328

SCHEMBL6447328

O=C(O)COCC#Cc1cccc(C#CCOCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.43
MMP2 P08253 2/20 0.43
MMP12 P39900 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 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
SCHEMBL6447480 0.94 FFAR1 (0.43) FFAR1PTGDR2MMP2MMP12CYP2C9
SCHEMBL6447485 0.94 FFAR1 (0.43) FFAR1PTGDR2MMP2MMP12CYP2C9
SCHEMBL6446075 0.85 FFAR1 (0.50) FFAR1PTGDR2MMP2MMP12ALOX15
SCHEMBL75765 0.78 PTGDR2 (0.51) FFAR1PTGDR2MMP2MMP12CYP2C9
SCHEMBL30852830 0.75 MMP2 (0.55) FFAR1MMP2MMP12ALOX15KDM4E
SCHEMBL3634841 0.73 HTT (0.58) FFAR1MMP2MMP12CYP2C9KDM4E
SCHEMBL1778144 0.73 FFAR1 (0.71) FFAR1PTGDR2ALOX15ALDH1A1
SCHEMBL14514021 0.73 FFAR1 (0.53) FFAR1
SCHEMBL4683194 0.71 FFAR1 (0.57) FFAR1PTGDR2CYP2C9ALOX15ALOX5
SCHEMBL1276464 0.71 CYP1A2 (0.56) MMP2MMP12CYP2C9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960588-B1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-01 US disclosed
US-20050143536-A1 Substituted indenyl metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2005-06-30 US disclosed
EP-1216236-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-06-26 EP disclosed
WO-2001019809-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-22 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-20050143536-A1 Substituted indenyl metal complexes and polymerization process ORC3, SOD1, YAP1 FFAR1 3727/4885PTGDR2 4046/4885MMP2 4650/4885

“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.