SCHEMBL7002068

SCHEMBL7002068

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
BLM P54132 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 1/20 0.34
LMNA P02545 2/20 0.34
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 3/20 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
SCHEMBL5677966 0.91 ABCC4 (0.47) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL5682272 0.83 MAPT (0.42) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL29069484 0.81 TET2 (0.44) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL29011276 0.75 FOLH1 (0.46) CYP2D6NFKB1MAPTTET2KDM4A
SCHEMBL29011277 0.75 FOLH1 (0.46) CYP2D6NFKB1MAPTTET2KDM4A
Bicarbonate SCHEMBL11768566 0.74 GRIK1 (0.32) CYP2C19GRIK1GRIK2
SCHEMBL7043004 0.74 TET2 (0.38) CYP2D6NFKB1SLC6A2SLC6A4BLM
Nitrous Acid SCHEMBL29026025 0.74 TET2 (0.38) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL6356171 0.74 GABRP (0.41) CYP2D6NFKB1TSHRMAPTTET2
SCHEMBL27996826 0.74 TET2 (0.38) CYP2D6NFKB1SLC6A2SLC6A4BLM

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-20040171876-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US claimed

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-20040171876-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) ODC1, OTC, OAT CYP2D6 579/4885NFKB1 1877/4885SLC6A2 3871/4885

“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.