SCHEMBL3962337

SCHEMBL3962337

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.46
STING1 Q86WV6 1/20 0.46
ACSL1 P33121 2/20 0.44
ACSL6 Q9UKU0 2/20 0.44
PPARA Q07869 2/20 0.43
FFAR1 O14842 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
PTPN1 P18031 1/20 0.40
LTB4R Q15722 2/20 0.39
EGFR P00533 1/20 0.39

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 0.91 ALDH1A1 (0.42) SERPINE1STING1PPARGL3MBTL1KDM4E
SCHEMBL3959212 0.88 TNF (0.44) FFAR1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL3962343 0.87 STING1 (0.43) SERPINE1STING1PPARGL3MBTL1KDM4E
SCHEMBL23787472 0.81 NPC1 (0.60) PPARGL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL3967317 0.80 MAPT (0.38) STING1PPARGL3MBTL1KDM4EALDH1A1
SCHEMBL4071677 0.78 HDAC1 (0.37) ACSL1ACSL6FFAR1L3MBTL1KDM4E
SCHEMBL3967322 0.73 RAB9A (0.38) STING1PPARGL3MBTL1KDM4EALDH1A1
SCHEMBL31676786 0.73 NPC1 (0.69) PPARGL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL21624241 0.73 NPC1 (0.69) PPARGL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL13338880 0.73 KDM4E (0.67) PPARGL3MBTL1KDM4EALDH1A1MAPT

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
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

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 SERPINE1 798/4885STING1 3072/4885ACSL1 648/4885

“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.