SCHEMBL13596190

SCHEMBL13596190

CCCc1cccc(OCCCOc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
KCNA3 P22001 1/20 0.50
PLA2G4B P0C869 1/20 0.49
CYP2D6 P10635 3/20 0.48
BCHE P06276 1/20 0.48
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
C1S P09871 1/20 0.47
PRSS3 P35030 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL3964534 0.90 FFAR1 (0.52) PPARGPPARACYP4F2CYP4A11BCHE
SCHEMBL14382693 0.89 CYP2D6 (0.57) LTA4HPPARGPPARAPLA2G4BCYP2D6
SCHEMBL20318731 0.88 PPARA (0.58) LTA4HPPARGPPARAKCNA3PLA2G4B
SCHEMBL3964532 0.88 TSHR (0.60) PPARGPPARAPLA2G4BCYP2D6KCNH2
SCHEMBL17402430 0.86 TSHR (0.63) PPARGPPARAPLA2G4BCYP2D6KCNH2
SCHEMBL3968967 0.86 CYP4F2 (0.51) PPARGPPARACYP4F2CYP4A11PLA2G4B
SCHEMBL4568878 0.85 PPARA (0.58) LTA4HPPARGPPARACYP2D6BCHE
SCHEMBL10235877 0.85 PPARA (0.58) PPARGPPARACYP2D6BCHEDRD2
SCHEMBL10235894 0.85 PPARA (0.55) LTA4HPPARGPPARACYP4F2CYP4A11
SCHEMBL4249052 0.85 TDP1 (0.52) PPARGPPARACYP4F2CYP4A11PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 LTA4H 403/4885PPARG 317/4885PPARA 292/4885

“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.