SCHEMBL3962343

SCHEMBL3962343

COc1ccc2c(=O)c3cc(OCCCCCC(=O)OC(C)(C)C)c(OC)cc3sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.43
ESR1 P03372 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC8 Q9BY41 1/20 0.37
SERPINE1 P05121 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
UHRF1 Q96T88 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PRNP P04156 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL3959212 0.87 TNF (0.44) L3MBTL1KDM4EALDH1A1MAPTNPC1
SCHEMBL3962337 0.87 SERPINE1 (0.46) STING1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL13939956 0.86 ALDH1A1 (0.42) STING1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL3967317 0.80 MAPT (0.38) STING1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL13939979 0.77 MAPT (0.42) STING1ESR1L3MBTL1KDM4EALDH1A1
SCHEMBL23787472 0.77 NPC1 (0.60) L3MBTL1KDM4EALDH1A1MAPTNPC1
SCHEMBL4071677 0.74 HDAC1 (0.37) L3MBTL1KDM4EALDH1A1MAPTNPC1
SCHEMBL22955153 0.71 HDAC8 (0.43) STING1ALDH1A1HDAC8
SCHEMBL3967322 0.70 RAB9A (0.38) STING1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL21624241 0.70 NPC1 (0.69) L3MBTL1KDM4EALDH1A1MAPTNPC1

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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1802630-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006032893-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2006-03-30 WO 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 (1 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA STING1 3072/4885ESR1 4265/4885L3MBTL1 3578/4885

“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.