SCHEMBL6833386

SCHEMBL6833386

Cc1cc(CCC=C(CC(=O)OC(C)(C)C)C(=O)O)ccc1-c1ccccc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.41
MMP3 P08254 6/20 0.41
MMP9 P14780 5/20 0.39
MMP14 P50281 5/20 0.39
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
BMP1 P13497 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GRIK1 P39086 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL6833383 1.00 MMP2 (0.41) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6137308 0.99 MMP2 (0.42) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6137306 0.99 MMP2 (0.42) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6833385 0.90 MMP2 (0.38) MMP2MMP3MMP9MMP14MMP1
Cyclohexylamine SCHEMBL6137474 0.89 PPARG (0.37) MMP2MMP3MMP9MMP14MMP1
Cyclohexylamine SCHEMBL6137479 0.89 PPARG (0.37) MMP2MMP3MMP9MMP14MMP1
Amantadine SCHEMBL6931289 0.88 MMP2 (0.35) MMP2MMP3MMP9MMP14MMP1
Amantadine SCHEMBL6931282 0.88 MMP2 (0.35) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6137476 0.82 CDK2 (0.36) MMP2MMP3MMP9MMP14MMP1
SCHEMBL5404174 0.82 GRIK1 (0.51) GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750363-B2 Olefination process to itaconate and succinate derivatives PFIZER, INC. 2004-06-15 US disclosed
US-20020188121-A1 Novel olefination process to itaconate and succinate derivatives DERRICK ANDREW MICHAEL (GB) 2002-12-12 US disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 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 (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-20020188121-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, OGDH, HADHA MMP2 3089/4885MMP3 3048/4885MMP9 3859/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH MMP2 2827/4885MMP3 3007/4885MMP9 3662/4885

“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.