SCHEMBL2118322

SCHEMBL2118322

CC(C)=CCOC(=O)C(=[N+]=[N-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM1 P11229 1/20 0.38
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
AKT1 P31749 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TTR P02766 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL15977365 0.82 CYP3A4 (0.47) CYP1A2CYP2C9CYP2C19CHRM1MAPK1
SCHEMBL6560122 0.80 CES2 (0.47) MMP1MMP2MMP9MMP12TRPV1
SCHEMBL900466 0.80 ALDH1A1 (0.54) LMNAALDH1A1MAPTTDP1
SCHEMBL29557122 0.79 TDP1 (0.44) CYP1A2CYP2C9CYP2C19MAPK1HIF1A
SCHEMBL28468675 0.78 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19MAPK1HIF1A
SCHEMBL28808083 0.77 LMNA (0.57) CYP1A2CYP2C9CYP2C19CHRM1MAPK1
SCHEMBL26091025 0.77 TDP1 (0.45) CYP1A2CYP2C9CYP2C19MAPK1HIF1A
Benzoic Acid 3-Methyl-2-Butenyl Ester SCHEMBL873002 0.76 TRPV1 (0.55) MMP1MMP2MMP9MMP12TRPV1
SCHEMBL16401664 0.75 TDP1 (0.56) MAPK1LMNAALDH1A1MAPTTDP1
SCHEMBL29931676 0.75 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 MMP1 3696/4885MMP2 3679/4885MMP9 4036/4885

“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.