SCHEMBL8944799

SCHEMBL8944799

CNC(=O)NCC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.60
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
CA9 Q16790 1/20 0.50
CYP2D6 P10635 1/20 0.48
EPHX2 P34913 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8392793 0.98 EPHX1 (0.63) EPHX1CA12CA1CA2MMP1
SCHEMBL17066466 0.96 EPHX1 (0.55) EPHX1CA12CA1CA2MMP1
SCHEMBL12252072 0.91
SCHEMBL7022372 0.86 EPHX1 (0.69) EPHX1CA12CA1CA2MMP1
SCHEMBL5860133 0.84 EPHX1 (0.73) EPHX1CA12CA1CA2MMP1
SCHEMBL7776473 0.84 EPHX1 (0.73) EPHX1CA12CA1CA2MMP1
SCHEMBL22540402 0.82 EPHX1 (0.70) EPHX1CA12CA1CA2MMP1
SCHEMBL13853551 0.82 NPC1 (0.42) EPHX1EPHX2TDP1NPC1RAB9A
SCHEMBL21551277 0.82 ALOX15 (0.56) EPHX1EPHX2TDP1ALDH1A1CYP3A4
SCHEMBL7021367 0.81 EPHX1 (0.63) EPHX1CA12CA1CA2MMP1

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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 EPHX1 1068/4885CA12 4510/4885CA1 4368/4885

“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.