SCHEMBL1237317

SCHEMBL1237317

C1CCOCC1.Cc1ccco1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
ALDH1A1 P00352 3/20 0.35
CHRM2 P08172 6/20 0.31
CHRM4 P08173 6/20 0.31
CHRM5 P08912 6/20 0.31
CHRM1 P11229 6/20 0.31
CHRM3 P20309 6/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
Tetrahydrofuran SCHEMBL10619778 0.98 TP53 (0.68) TP53ALDH1A1CHRM2CHRM4CHRM5
Oxirane SCHEMBL826683 0.86
Ethane SCHEMBL3670045 0.78
Water SCHEMBL14353431 0.78
SCHEMBL27484100 0.78
Methane SCHEMBL25269682 0.78
Ammonia Solution, Strong SCHEMBL1291269 0.78
Hydrogen Sulfide SCHEMBL15020519 0.78
SCHEMBL28163366 0.78
Water SCHEMBL28149279 0.78 TP53 (0.94) TP53ALDH1A1USP2POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103345-A Method for producing compound comprising isomerization step of alpha, beta-unsaturated ketone 花王株式会社 2024-05-28 CN disclosed
EP-2487150-B1 PROCESS FOR PRODUCING A LACTONE KAO CORP (JP) 2016-12-28 EP disclosed
EP-2266943-B1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORP (JP) 2016-11-16 EP disclosed
US-8394994-B2 Method for producing of 2-alkyl-2-cycloalken-1-one KAO CORPORATION (JP) 2013-03-12 US disclosed
EP-2487150-A1 PROCESS FOR PRODUCING 2-ALKYLCYCLOALKANONE Kao Corporation (JP) 2012-08-15 EP disclosed
US-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORPORATION (JP) 2011-02-10 US disclosed
EP-2266943-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE Kao Corporation (JP) 2010-12-29 EP disclosed
EP-0122935-A1 METHOD FOR PREPARING ORGANIC HYPONITRITES BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1984-10-31 EP disclosed
WO-1984001770-A1 METHOD FOR PREPARING ORGANIC HYPONITRITES UNIV MICHIGAN TECH (US) 1984-05-10 WO 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-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE PAOX, CYP1A1, ADH1A TP53 677/4885ALDH1A1 191/4885CHRM2 741/4885

“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.