SCHEMBL3967317

SCHEMBL3967317

CCC(CCCCOc1cc2c(=O)c3ccc(OC)cc3sc2cc1OC)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PRNP P04156 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
NCOA2 Q15596 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
STING1 Q86WV6 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL13939956 0.83 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL3962337 0.80 SERPINE1 (0.46) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL3962343 0.80 STING1 (0.43) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL3959212 0.79 TNF (0.44) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL3967322 0.79 RAB9A (0.38) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL23787472 0.77 NPC1 (0.60) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL4071677 0.73 HDAC1 (0.37) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL21624241 0.69 NPC1 (0.69) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL31676786 0.69 NPC1 (0.69) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL30017661 0.69 KDM4E (0.67) MAPTALDH1A1L3MBTL1KDM4ENPC1

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 3 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
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 MAPT 2875/4885ALDH1A1 1102/4885L3MBTL1 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.