SCHEMBL3095915

SCHEMBL3095915

CC(C)CC(=O)OCC(C)(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
PRKCA P17252 3/20 0.36
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MIF P14174 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL9115577 0.81 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3442983 0.79 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8215989 0.79 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2843422 0.78 NAAA (0.38) ALDH1A1TSHR
SCHEMBL2839597 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8216917 0.77 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12192460 0.76 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28828335 0.76 CYP2C19 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL23521357 0.74 DGKA (0.44) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL4425044 0.74 DGKA (0.44) PRKCAPRKCEPRKCQPRKCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132248-B1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2016-07-13 EP disclosed
EP-2220034-B1 AROMATIC ALDIMINES AND POLYURETHANE COMPOSITIONS WHICH CONTAIN ALDIMINE SIKA TECHNOLOGY AG (CH) 2015-12-23 EP disclosed
US-8668986-B2 Aromatic aldimines and polyurethane compositions which contain aldimine SIKA TECHNOLOGY AG (CH) 2014-03-11 US disclosed
US-20100255314-A1 AROMATIC ALDIMINES AND POLYURETHANE COMPOSITIONS WHICH CONTAIN ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-10-07 US disclosed
EP-2220034-A1 AROMATIC ALDIMINES AND POLYURETHANE COMPOSITIONS WHICH CONTAIN ALDIMINE Sika Technology AG (CH) 2010-08-25 EP disclosed
EP-2132248-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN Sika Technology AG (CH) 2009-12-16 EP disclosed
WO-2009062985-A1 AROMATIC ALDIMINES AND POLYURETHANE COMPOSITIONS WHICH CONTAIN ALDIMINE SIKA TECHNOLOGY AG (CH) 2009-05-22 WO disclosed
WO-2008116928-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2008-10-02 WO disclosed
EP-1975190-A1 Aldimines with reactive groups containing active hydrogen Sika Technology AG (CH) 2008-10-01 EP 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-20100255314-A1 AROMATIC ALDIMINES AND POLYURETHANE COMPOSITIONS WHICH CONTAIN ALDIMINE ODC1, DDC, SRM MMP1 2450/4885MMP2 3330/4885MMP3 4541/4885

“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.