SCHEMBL1195035

SCHEMBL1195035

CCC(O)C/C(C)=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
KDM1A O60341 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
GPR84 Q9NQS5 4/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2403059 0.82 SLC22A6 (0.36) KDM4EATMSLC22A6GPR84MAPT
SCHEMBL977494 0.82 SLC22A6 (0.36) KDM4EATMSLC22A6GPR84MAPT
SCHEMBL28538742 0.77 KDM4E (0.43) KDM4EATMKDM1ASLC22A6
SCHEMBL1194994 0.77 KDM4E (0.43) KDM4EATMKDM1ASLC22A6
SCHEMBL15482735 0.77 KDM4E (0.43) KDM4EATMKDM1ANR4A1NR4A2
SCHEMBL27474236 0.75 ALDH1A1 (0.48) KDM4EATMKDM1A
SCHEMBL291583 0.75 ALDH1A1 (0.48) KDM4EATMKDM1A
SCHEMBL291582 0.75 ALDH1A1 (0.48) KDM4EATMKDM1A
SCHEMBL1786508 0.71 ALDH1A1 (0.39)
SCHEMBL1786510 0.71 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136902-A1 12-MEMBERED-RING MACROLACTAM DERIVATIVES MIYANO MASAYUKI 2011-06-09 US disclosed
US-7884128-B2 reacting 11-{[tert-butyl(dimethyl)silyl]oxy}-7-[(E)-2-formyl-1-methyleth-1-en-1-yl]-6,13a-dimethyl-2-phenyl-3a,6,7,10,11,12,13,13a-octahydro-9H-[1,3]dioxolo[4,5-f]oxacyclododecin-9-one with 2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propyl}oxiran-2-yl)pentane-3-ol, to form pladienolide analogues EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-08 US disclosed
US-7816401-B2 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 US disclosed
EP-2145886-A1 TWELVE-MEMBERED CYCLOMACROLACTAM DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-01-20 EP disclosed
US-20080312317-A1 12 MEMBERED-RING MACROLACTAM DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-18 US disclosed
EP-1935893-A1 TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D Eisai R&D Management Co., Ltd. (JP) 2008-06-25 EP disclosed
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. 2008-01-24 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 (4 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-20080312317-A1 12 MEMBERED-RING MACROLACTAM DERIVATIVES HDAC11, HDAC1, HDAC3 KDM4E 2234/4885ATM 2958/4885KDM1A 1430/4885
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD KDM4E 2189/4885ATM 4541/4885KDM1A 3619/4885
US-20110136902-A1 12-MEMBERED-RING MACROLACTAM DERIVATIVES HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC1 KDM4E 2305/4885ATM 3176/4885KDM1A 1617/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD KDM4E 2440/4885ATM 2684/4885KDM1A 2905/4885

“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.