SCHEMBL6879685

SCHEMBL6879685

O=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MMP8 P22894 2/20 0.33
MMP1 P03956 2/20 0.33
MMP3 P08254 2/20 0.33
FDPS P14324 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ACHE P22303 1/20 0.32
MMP9 P14780 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL517951 1.00 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL24169092 0.97 MMP2 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL30171401 0.97 MMP2 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL575842 0.96 ALDH1A1 (0.31) MMP2CA12CA1CA2CA9
SCHEMBL14966771 0.89 MMP2 (0.31) MMP2MMP8
SCHEMBL11876473 0.88
SCHEMBL7518057 0.84 MMP2 (0.30) MMP2CA12CA1CA2CA9
SCHEMBL24865103 0.84 EPHX1 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL23435064 0.80
SCHEMBL25358318 0.78 TSHR (0.38) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167018-A1 Palladium catalysts VAN DER SCHAAF PAUL ADRIAAN (CH) 2004-08-26 US claimed
EP-1414566-A1 PALLADIUM CATALYSTS Ciba SC Holding AG (CH) 2004-05-06 EP claimed
WO-2003013723-A1 PALLADIUM CATALYSTS CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2003-02-20 WO claimed
US-20040167018-A1 Palladium catalysts VAN DER SCHAAF PAUL ADRIAAN (CH) 2004-08-26 US disclosed
EP-1414566-A1 PALLADIUM CATALYSTS Ciba SC Holding AG (CH) 2004-05-06 EP disclosed
WO-2003013723-A1 PALLADIUM CATALYSTS CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 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-20040167018-A1 Palladium catalysts PDCD1LG2, CD274, MT-CO3 MMP2 4757/4885CA12 1425/4885CA1 1925/4885

“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.