SCHEMBL104271

SCHEMBL104271

CCCNC(=O)OC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.58
BCHE P06276 3/20 0.56
GAA P10253 1/20 0.53
KCNA3 P22001 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
KCNA2 P16389 1/20 0.40
KCNA1 Q09470 1/20 0.40
ACHE P22303 1/20 0.39
NAAA Q02083 1/20 0.39
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL20928290 0.92 EPHX1 (0.65) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL23200480 0.92 EPHX1 (0.70) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL14424470 0.90 EPHX1 (0.73) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL29990844 0.87 EPHX1 (0.50) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL6695746 0.86 GAA (0.60) EPHX1BCHEGAAACHENAAA
SCHEMBL28005859 0.86 EPHX1 (0.49) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL16690968 0.83 EPHX1 (0.54) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL8374492 0.83
SCHEMBL20927911 0.82 BCHE (0.60) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL18265728 0.82 GAA (0.60) EPHX1BCHEGAAKCNA3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 WO disclosed
US-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT EPHX1 749/4885BCHE 25/4885GAA 82/4885

“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.