SCHEMBL10032070

SCHEMBL10032070

Oc1ccc(OCOCF)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
LTA4H P09960 4/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NR5A1 Q13285 1/20 0.44
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 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
SCHEMBL1859432 0.83 LTA4H (0.52) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL8452874 0.83 LTA4H (0.56) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL9856113 0.77 LTA4H (0.63) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL10422293 0.76 KCNA3 (0.50) LTA4HLMNACYP2C19HDAC6DRD2
SCHEMBL6059624 0.76 ESR2 (0.56) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL1923910 0.74 LTA4H (0.54) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL17676808 0.74 IDO1 (0.50) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL10458362 0.74 APP (0.65) APPLTA4HESR1ESR2NR5A1
SCHEMBL28204950 0.74 LTA4H (0.44) APPLTA4HLMNACYP1A2PTGS1
SCHEMBL28903276 0.73 APP (0.58) APPLTA4HLMNACYP1A2PTGS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487080-B2 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY (US) 2013-07-16 US disclosed
US-8124725-B2 PDGF-Rβ binders GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2011-06-30 US disclosed
US-7902332-B2 Reacting thiol-reactive terminus of linker with a polypeptide and fluorine-substituted aldehyde GENERAL ELECTRIC COMPANY (US) 2011-03-08 US disclosed
US-20090191124-A1 PDGF-RBeta BINDERS GENERAL ELECTRIC COMPANY (US) 2009-07-30 US disclosed
US-20080139787-A1 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY 2008-06-12 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-20080139787-A1 Fluorine-labeled compounds PFAS, DHFR, PAICS APP 2352/4885LTA4H 3270/4885LMNA 3929/4885
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS PFAS, DHFR, PAICS APP 2352/4885LTA4H 3270/4885LMNA 3929/4885
US-20090191124-A1 PDGF-RBeta BINDERS PDGFRB, PDGFA, PDGFRA APP 2458/4885LTA4H 4282/4885LMNA 3074/4885

“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.