SCHEMBL1195340

SCHEMBL1195340

COc1ccc(COC/C=C(\C)C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
F2RL1 P55085 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CALM1 P0DP23 1/20 0.41
FFAR1 O14842 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
APP P05067 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LDHA P00338 1/20 0.40

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
SCHEMBL1195343 1.00 CA1 (0.45) CA1CA2IDO1AGXTHTT
SCHEMBL11269821 0.81 PPARG (0.44) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL11269815 0.81 PPARG (0.44) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3961229 0.81 IDO1 (0.52) CA1CA2IDO1AGXTHTT
SCHEMBL1194874 0.81 TRPV1 (0.53) CA1CA2IDO1AGXTHTT
SCHEMBL1194871 0.81 TRPV1 (0.53) CA1CA2IDO1AGXTHTT
SCHEMBL9039871 0.81 CA1 (0.45) CA1CA2IDO1AGXTHTT
SCHEMBL5814465 0.80 ALDH1A1 (0.53) IDO1AGXTHTTSMN1; SMN2F2RL1
Formic Acid SCHEMBL6366129 0.79 IDO1 (0.53) CA1CA2IDO1AGXTHTT
SCHEMBL1195460 0.78 CA1 (0.47) CA1CA2IDO1AGXTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 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
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
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 (2 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-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD CA1 3657/4885CA2 3403/4885IDO1 3381/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD CA1 1280/4885CA2 2966/4885IDO1 4091/4885

“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.