SCHEMBL1238440

SCHEMBL1238440

CCC(C)C(O)C1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.38
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DPP4 P27487 5/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
FAP Q12884 2/20 0.31
ACE P12821 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
SCHEMBL25635615 1.00 CYP2D6 (0.43) CYP2D6MAPTCHRM4CHRM5CHRM1
SCHEMBL1238385 0.95 CYP2D6 (0.49) CYP2D6MAPTCHRM4CHRM5CHRM1
SCHEMBL6902894 0.86 CYP2D6 (0.38) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL6901642 0.83 CYP2D6 (0.37) CYP2D6MAPTDPP4PTGS1PTGS2
SCHEMBL6900478 0.82 CYP2D6 (0.36) CYP2D6MAPT
SCHEMBL15876104 0.81 CYP2D6 (0.42) CYP2D6MAPTCHRM4CHRM5CHRM1
SCHEMBL6901470 0.81 CCR2 (0.36) CYP2D6
SCHEMBL6903491 0.81 MAPT (0.41) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL1238390 0.79 CYP2D6 (0.43) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL10735820 0.79 CYP2D6 (0.47) CYP2D6MAPTKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409486-A1 COMPOUND PRODUCING METHOD INCLUDING STEP OF ISOMERIZING ALPHA, BETA-UNSATURATED KETONE KAO CORPORATION (JP) 2024-12-12 US disclosed
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
WO-2023063030-A1 COMPOUND PRODUCING METHOD INCLUDING STEP FOR ISOMERIZING α,β-UNSATURATED KETONE 花王株式会社 2023-04-20 WO 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
CN-102548944-B Process for producing 2-alkylcycloalkanone KAO CORP 2014-12-10 CN disclosed
CN-101998946-B Method for producing of 2-alkyl-2-cycloalken-1-one KAO CORP 2013-09-04 CN 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
CN-101998946-A Method for producing of 2-alkyl-2-cycloalken-1-one KAO CORP 2011-03-30 CN 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
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 EP disclosed
CN-1421429-A Process for producing 2-alkyl-2-cyclopentenone TAKASAGO PERFUMERY CO LTD (JP) 2003-06-04 CN 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 (3 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-20240409486-A1 COMPOUND PRODUCING METHOD INCLUDING STEP OF ISOMERIZING ALPHA, BETA-UNSATURATED KETONE CBR1, AKR1B1, AKR1C1 CYP2D6 349/4885MAPT 4276/4885CHRM4 2363/4885
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 CYP2D6 129/4885MAPT 4641/4885CHRM4 3785/4885
US-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE PAOX, CYP1A1, ADH1A CYP2D6 490/4885MAPT 4431/4885CHRM4 1763/4885

“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.