SCHEMBL4017465

SCHEMBL4017465

O=C(O)NC1CCCCCCCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 3/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 1/20 0.67
KDM4E B2RXH2 1/20 0.67
EPHX2 P34913 1/20 0.67
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
MMP2 P08253 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MMP8 P22894 1/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL529370 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL28034199 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4017458 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL740145 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11512953 0.97 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11155165 0.97 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Bromide SCHEMBL31210076 0.97 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL374902 0.97
Hydrochloric Acid SCHEMBL28662905 0.94 EPHX1 (0.59) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL19282177 0.93 EPHX1 (0.58) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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 EPHX1 531/4885NPC1 136/4885SMN1; SMN2 1545/4885

“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.