SCHEMBL6475425

SCHEMBL6475425

C=CCOC(=O)C1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR4 O00206 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2721962 0.95 TSHR (0.36) MCL1MAPK1GAAALDH1A1TSHR
SCHEMBL22468826 0.95 TSHR (0.36) MCL1MAPK1GAAALDH1A1TSHR
SCHEMBL29529763 0.95 TSHR (0.36) MCL1MAPK1GAAALDH1A1TSHR
SCHEMBL187154 0.84 MCL1 (0.40) MCL1MAPK1GAAALDH1A1TSHR
SCHEMBL21386002 0.81 MAPK1 (0.41) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL21645903 0.80 ALDH1A1 (0.35) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL10588700 0.79 GAA (0.34) MAPK1GAAALDH1A1TSHRTP53
SCHEMBL10231781 0.79 ALDH1A1 (0.35) MAPK1GAAALDH1A1TSHRTP53
SCHEMBL276016 0.78 TLR4 (0.51) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL2470785 0.78 TLR4 (0.51) MCL1MAPK1GAAALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP claimed
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2024-01-25 US disclosed
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2024-01-25 US disclosed
US-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-05 US disclosed
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 US disclosed
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIV FLORIDA (US) 2019-09-05 US disclosed
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 US disclosed
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 US disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 EP disclosed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 US disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 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 (5 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-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 MCL1 297/4885MAPK1 2014/4885GAA 527/4885
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS MCL1 1124/4885MAPK1 4425/4885GAA 2518/4885
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 MCL1 394/4885MAPK1 1945/4885GAA 452/4885
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS MCL1 1166/4885MAPK1 4448/4885GAA 2633/4885
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 MCL1 394/4885MAPK1 1945/4885GAA 452/4885

“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.