SCHEMBL6203402

SCHEMBL6203402

O=C(O)C(Cc1ccc(OCc2ccccc2)cc1)CC1(c2ccccn2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ LTA4H P09960 2/20 0.43
▸ LAP3 P28838 1/20 0.43
▸ PPARD Q03181 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ MME P08473 4/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL6804298 0.89 CYP1A2 (0.45) ITGA4ITGB7MME
SCHEMBL6801616 0.88 YAP1 (0.42) PPARGPPARALTA4HLAP3PPARD
SCHEMBL6915779 0.83 NMBR (0.44) LTA4HFFAR1
Lithium Ion SCHEMBL6804295 0.81 MME (0.39) ITGA4ITGB7MME
SCHEMBL6203424 0.80 PPARG (0.41) PPARGPPARAITGA4ITGB7MME
SCHEMBL6797773 0.73 SOAT2 (0.48) MME
SCHEMBL8000823 0.72 PPARG (0.63) PPARGPPARALTA4HLAP3PPARD
SCHEMBL28441594 0.71 PPARA (0.62) PPARGPPARALTA4HPPARDFFAR1
SCHEMBL28860722 0.70 FFAR1 (0.64) PPARGPPARALTA4HLAP3PPARD
SCHEMBL28224291 0.70 FFAR1 (0.64) PPARGPPARALTA4HLAP3PPARD

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
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 — — EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 — — US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 — — 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR PPARG 3817/4885PPARA 3913/4885LTA4H 1676/4885

“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.

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