SCHEMBL1195445

SCHEMBL1195445

C[C@@H](CCO)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPA1 O75762 1/20 0.47
TACR1 P25103 2/20 0.45
HTT P42858 1/20 0.43
SLC1A1 P43005 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
FOLH1 Q04609 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL27694647 0.90 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL9617420 0.85 CA1 (0.55) CA1CA2CA7CA9TSHR
SCHEMBL4909693 0.85 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL149042 0.85 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL4545487 0.85 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL14453899 0.85 TSHR (0.61) CA1CA2CA7CA9TSHR
SCHEMBL172650 0.84 TSHR (0.50) CA1CA2CA7CA9TSHR
SCHEMBL13464527 0.84 TSHR (0.50) CA1CA2CA7CA9TSHR
SCHEMBL29516747 0.84 TSHR (0.50) CA1CA2CA7CA9TSHR
SCHEMBL10127440 0.84 TSHR (0.50) CA1CA2CA7CA9TSHR

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 5 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-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-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 (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 3403/4885CA7 2161/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD CA1 1280/4885CA2 2966/4885CA7 955/4885

“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.