SCHEMBL18199741

SCHEMBL18199741

CCOC(=O)C(OC(=O)CC(C)CC)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ELANE P08246 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PRKCA P17252 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TRPA1 O75762 1/20 0.32
ABCB1 P08183 1/20 0.32
ALOX15 P16050 3/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 2/20 0.31
LMNA P02545 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
SCHEMBL6895696 0.85 MMP1 (0.63) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12116855 0.83 L3MBTL1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18203060 0.81 MGAM (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6892991 0.81 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21407903 0.78 MGAM (0.50) ELANEMGAMGAASIMGAM2
SCHEMBL1456349 0.78 MGAM (0.50) ELANEMGAMGAASIMGAM2
SCHEMBL6896368 0.78 ALDH1A1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6895568 0.76 ABCB1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6895099 0.76 ABCB1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6896356 0.75 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885

“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.