SCHEMBL12430368

SCHEMBL12430368

CC(C)=CCc1c(O)cc2oc3cc(O)c(C)c(CC=C(C)C)c3c(=O)c2c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.81
GAA P10253 5/20 0.81
SI P14410 5/20 0.81
MGAM2 Q2M2H8 5/20 0.81
NUDT1 P36639 4/20 0.81
FASN P49327 4/20 0.81
CYP19A1 P11511 4/20 0.81
IDH1 O75874 4/20 0.81
PGAM1 P18669 3/20 0.81
SIRT2 Q8IXJ6 3/20 0.81
PTPN1 P18031 3/20 0.81
AKR1B1 P15121 2/20 0.81
TTR P02766 1/20 0.81
PTGS1 P23219 1/20 0.81
PTGS2 P35354 1/20 0.81
SIRT1 Q96EB6 1/20 0.81
SIRT3 Q9NTG7 1/20 0.81
RELA Q04206 3/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPT P10636 2/20 0.72

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
SCHEMBL13081216 0.94 MGAM (0.79) MGAMGAASIMGAM2NUDT1
SCHEMBL3753526 0.90 MGAM (1.00) MGAMGAASIMGAM2NUDT1
SCHEMBL30634827 0.90 MGAM (1.00) MGAMGAASIMGAM2NUDT1
SCHEMBL29460081 0.90 MGAM (1.00) MGAMGAASIMGAM2NUDT1
SCHEMBL3416398 0.87 MGAM (0.81) MGAMGAASIMGAM2NUDT1
SCHEMBL12241934 0.87 MGAM (0.81) MGAMGAASIMGAM2NUDT1
SCHEMBL16260214 0.86 MGAM (0.64) MGAMGAASIMGAM2NUDT1
Mangostin SCHEMBL354735 0.84 MGAM (1.00) MGAMGAASIMGAM2NUDT1
Mangostin SCHEMBL29433195 0.84 MGAM (1.00) MGAMGAASIMGAM2NUDT1
Mangostin SCHEMBL29466055 0.84 MGAM (1.00) MGAMGAASIMGAM2NUDT1

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-12036319-B2 Polyvalent sting activating compositions and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 US disclosed
US-20140349918-A1 DERIVATIVES OF XANTHONE COMPOUNDS SINGAPORE HEALTH SERVICES PTE LTD. (SG) 2014-11-27 US disclosed
US-8461360-B2 Process for producing γ -mangostin LAILA NUTRACEUTICALS (US) 2013-06-11 US disclosed
US-7981438-B2 Use of α-mangostin as a mosquito larvicide WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-07-19 US disclosed
US-20080300300-A1 Use of alpha-mangostin as a mosquito larvicide WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-12-04 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 (3 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-12036319-B2 Polyvalent sting activating compositions and uses thereof STING1, CGAS, TLR7 MGAM 3674/4885GAA 1162/4885SI 2347/4885
US-20140349918-A1 DERIVATIVES OF XANTHONE COMPOUNDS XDH, XPA, SQLE MGAM 1085/4885GAA 349/4885SI 2891/4885
US-20080300300-A1 Use of alpha-mangostin as a mosquito larvicide MTX1, MTX2, L3MBTL1 MGAM 492/4885GAA 2576/4885SI 256/4885

“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.