SCHEMBL12877481

SCHEMBL12877481

CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SF3B3 Q15393 10/20 0.76
HMGCR P04035 2/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TSHR P16473 2/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
MTOR P42345 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 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
SCHEMBL905749 1.00 SF3B3 (0.76) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL30311586 1.00 SF3B3 (0.76) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL12877318 1.00 SF3B3 (0.76) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL14539614 1.00 SF3B3 (0.76) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL1505026 0.95 SF3B3 (0.70) SF3B3HMGCR
SCHEMBL3626171 0.95 SF3B3 (0.70) SF3B3HMGCR
SCHEMBL1504956 0.94 SF3B3 (0.69) SF3B3HMGCR
SCHEMBL13748880 0.94 SF3B3 (0.71) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL13714905 0.94 SF3B3 (0.69) SF3B3
SCHEMBL3619306 0.94 SF3B3 (0.66) SF3B3

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
US-9193715-B2 Regulation of cholesterol homeostasis UNIVERSITY OF NOTRE DAM DU LAC (US) 2015-11-24 US disclosed
US-20150038566-A1 REGULATION OF CHOLESTEROL HOMEOSTASIS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-02-05 US disclosed
US-8865761-B1 Regulation of cholesterol homeostasis THE UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-21 US disclosed
US-20140275010-A1 QUATERNARY SALTS ZHENG GUO ZHU (US) 2014-09-18 US disclosed
US-20140275010-A1 QUATERNARY SALTS ZHENG GUO ZHU (US) 2014-09-18 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-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
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 (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-20150038566-A1 REGULATION OF CHOLESTEROL HOMEOSTASIS NPC1L1, NPC1, CETP SF3B3 1703/4885HMGCR 26/4885MEN1 2361/4885
US-20140275010-A1 QUATERNARY SALTS TP53, VHL, SF3B5 SF3B3 16/4885HMGCR 2013/4885MEN1 383/4885
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD SF3B3 861/4885HMGCR 505/4885MEN1 3007/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD SF3B3 1988/4885HMGCR 347/4885MEN1 1894/4885

“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.