SCHEMBL4020029

SCHEMBL4020029

CCCCCC=CCC=CCCCCCCCCCCNC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
CNR1 P21554 1/20 0.64
EPHX2 P34913 3/20 0.62
ALDH1A1 P00352 2/20 0.62
DUSP3 P51452 1/20 0.62
PTPN7 P35236 1/20 0.62
FFAR1 O14842 1/20 0.62
LMNA P02545 1/20 0.62
FABP3 P05413 1/20 0.62
CYP3A4 P08684 1/20 0.62
F7 P08709 1/20 0.62
CYP19A1 P11511 1/20 0.62
F3 P13726 1/20 0.62
FABP4 P15090 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
PTGS1 P23219 1/20 0.62
GNA15 P30679 1/20 0.62
PPARG P37231 1/20 0.62

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
SCHEMBL4017990 1.00 KDM4E (0.64) KDM4ECNR1EPHX2ALDH1A1DUSP3
SCHEMBL30381949 1.00 KDM4E (0.64) KDM4ECNR1EPHX2ALDH1A1DUSP3
SCHEMBL4017994 1.00 KDM4E (0.64) KDM4ECNR1EPHX2ALDH1A1DUSP3
SCHEMBL16694966 1.00 KDM4E (0.64) KDM4ECNR1EPHX2ALDH1A1DUSP3
SCHEMBL16694967 1.00 KDM4E (0.64) KDM4ECNR1EPHX2ALDH1A1DUSP3
SCHEMBL4017897 1.00 KDM4E (0.64) KDM4ECNR1EPHX2ALDH1A1DUSP3
SCHEMBL4022991 0.98 CNR1 (0.66) KDM4ECNR1EPHX2
SCHEMBL4022984 0.98 CNR1 (0.66) KDM4ECNR1EPHX2
SCHEMBL4024425 0.95 CNR1 (0.66) KDM4ECNR1
SCHEMBL4024422 0.95 CNR1 (0.66) KDM4ECNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476756-B2 Alkyl-, alkenyl- and alkynylcarbamate derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2009-01-13 US disclosed
US-20080103197-A1 ALKYL-, ALKENYL- AND ALKYNYLCARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-05-01 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-20080103197-A1 ALKYL-, ALKENYL- AND ALKYNYLCARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS ALK, ALKBH3, IDH1 KDM4E 370/4885CNR1 15/4885EPHX2 706/4885

“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.