SCHEMBL4021960

SCHEMBL4021960

CCC=CCCCCNC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.53
ALDH1A1 P00352 4/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
CYP19A1 P11511 3/20 0.50
MAPT P10636 2/20 0.50
OXER1 Q8TDS5 2/20 0.50
PTGS1 P23219 2/20 0.50
PPARG P37231 2/20 0.50
KMT2A Q03164 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
FFAR1 O14842 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PLA2G1B P04054 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL4021951 1.00 EPHX2 (0.53) EPHX2ALDH1A1F7F3CYP19A1
SCHEMBL4021981 0.98 EPHX2 (0.54) EPHX2ALDH1A1F7F3CYP19A1
SCHEMBL1416855 0.98 EPHX2 (0.54) EPHX2ALDH1A1F7F3CYP19A1
SCHEMBL4023964 0.93 ALDH1A1 (0.62) EPHX2ALDH1A1F7F3CYP19A1
SCHEMBL29706306 0.93 ALDH1A1 (0.62) EPHX2ALDH1A1F7F3CYP19A1
SCHEMBL4023965 0.93 ALDH1A1 (0.62) EPHX2ALDH1A1F7F3CYP19A1
SCHEMBL4021971 0.86 EPHX2 (0.68) EPHX2F7F3CYP19A1MAPT
SCHEMBL6869509 0.86 EPHX2 (0.68) EPHX2F7F3CYP19A1MAPT
SCHEMBL2067947 0.86 EPHX2 (0.68) EPHX2F7F3CYP19A1MAPT
SCHEMBL4020181 0.86 EPHX2 (0.68) EPHX2F7F3CYP19A1MAPT

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 EPHX2 706/4885ALDH1A1 17/4885F7 3440/4885

“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.