SCHEMBL4178922

SCHEMBL4178922

CCCCCCCCC1(C(=O)n2ccnc2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.34
HSP90AA1 P07900 1/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 2/20 0.34
KCNH2 Q12809 1/20 0.34
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLA1 P09884 1/20 0.32
PLA2G4A P47712 1/20 0.32
CYP24A1 Q07973 1/20 0.32
PPARG P37231 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL9746013 0.79 PPARG (0.39) KCNH2PPARG
SCHEMBL4184927 0.79 PPARG (0.39) KCNH2PPARG
SCHEMBL4181876 0.79 PPARG (0.39) KCNH2PPARG
SCHEMBL4183418 0.79 PPARG (0.39) KCNH2PPARG
SCHEMBL10440676 0.79 PPARG (0.39) KCNH2PPARG
SCHEMBL8780385 0.78 PPARG (0.39) KCNH2PPARG
SCHEMBL9852424 0.78 NPC1 (0.39) KCNH2PPARGCNR1CNR2
SCHEMBL11107744 0.75 PPARG (0.36) KCNH2POLA1PPARG
SCHEMBL9852458 0.72 OPRM1 (0.39) POLA1PPARGOPRM1OPRD1OPRK1
SCHEMBL10429679 0.71 MMP2 (0.41) SMN1; SMN2

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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG TBXAS1 1092/4885HSP90AA1 1549/4885TP53 836/4885

“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.