SCHEMBL260370

SCHEMBL260370

Cc1ccc(-c2ccc(COC(=O)C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MMP2 P08253 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAOB P27338 1/20 0.42
AGXT P21549 2/20 0.42
P2RX4 Q99571 1/20 0.42
PARP10 Q53GL7 1/20 0.41
NAAA Q02083 1/20 0.41
POLB P06746 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL4457286 0.94 ALDH1A1 (0.48) MMP12ALDH1A1MMP2MMP1MMP9
SCHEMBL12885598 0.91 MAOB (0.57) ALDH1A1NPC1RAB9AMAOBPARP10
SCHEMBL15762727 0.87 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ACA1
SCHEMBL12885597 0.86 RAB9A (0.45) MMP12ALDH1A1MMP2MMP1MMP9
SCHEMBL8085256 0.86 RAB9A (0.53) ALDH1A1NPC1RAB9AAGXTNAAA
SCHEMBL25454006 0.85 MAPT (0.47) MMP12ALDH1A1MMP2MMP1MMP9
SCHEMBL14464460 0.85 MAOB (0.62) ALDH1A1NPC1RAB9AMAOBPARP10
SCHEMBL260469 0.83 MMP12 (0.42) MMP12ALDH1A1MMP2MMP1MMP9
SCHEMBL9687590 0.81 ALDH1A1 (0.60) MMP12ALDH1A1MMP2MMP1MMP9
SCHEMBL9686517 0.81 ALDH1A1 (0.60) MMP12ALDH1A1MMP2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US 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-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B MMP12 4651/4885ALDH1A1 3468/4885MMP2 1227/4885

“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.