SCHEMBL16160243

SCHEMBL16160243

CCC(C(=O)N(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
DPP4 P27487 1/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 1/20 0.30
PDF Q9HBH1 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
SCHEMBL15314110 0.83 MMP1 (0.33) MMP1MMP2MMP8MMP13TSHR
SCHEMBL16160276 0.83 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1DPP4TSHR
SCHEMBL21883500 0.82 MMP1 (0.37) MMP1MMP2MMP8MMP13SLC1A3
SCHEMBL21883849 0.82 MMP1 (0.37) MMP1MMP2MMP8MMP13SLC1A3
SCHEMBL24740625 0.81 CHRM1 (0.36) MMP1MMP2MMP8MMP13SLC1A3
SCHEMBL16160011 0.81 DPP4 (0.33) SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL16160320 0.80 DPP4 (0.37) MMP1MMP2MMP8SLC1A3SLC1A2
SCHEMBL22418156 0.79
SCHEMBL18722690 0.78 MMP1 (0.47) MMP1MMP2MMP8MMP13SLC1A3
SCHEMBL16160296 0.78 FAAH (0.40)

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-20210113739-A1 TOPOLOGICAL ADHESION OF MATERIALS NATIONAL SCIENCE FOUNDATION 2021-04-22 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 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-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 MMP1 3836/4885MMP2 3399/4885MMP8 4596/4885

“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.