SCHEMBL6801616

SCHEMBL6801616

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.42
▸ LTA4H P09960 3/20 0.42
▸ LAP3 P28838 1/20 0.41
▸ PPARG P37231 4/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ MAOB P27338 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ PSMB1 P20618 2/20 0.38
▸ PSMB8 P28062 2/20 0.38
▸ PSMB9 P28065 2/20 0.38
▸ PSMB5 P28074 2/20 0.38
▸ PSMB10 P40306 2/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL6203402 0.88 PPARG (0.46) LTA4HLAP3PPARGPPARAMAOB
SCHEMBL6203424 0.81 PPARG (0.41) PPARGPPARA
SCHEMBL6915779 0.80 NMBR (0.44) LTA4HFFAR1
Lithium Ion SCHEMBL6804295 0.75 MME (0.39) —
SCHEMBL27514471 0.73 LTA4H (0.53) YAP1LTA4HLAP3PPARGPPARA
SCHEMBL12656179 0.72 LTA4H (0.60) YAP1LTA4HLAP3PPARGPPARA
SCHEMBL3522492 0.71 PPARA (0.56) YAP1LTA4HLAP3PPARGPPARA
SCHEMBL3522497 0.71 PPARA (0.56) YAP1LTA4HLAP3PPARGPPARA
SCHEMBL7338844 0.71 LTA4H (0.65) LTA4HLAP3PPARGPPARAMAOB
SCHEMBL7339057 0.71 LTA4H (0.65) LTA4HLAP3PPARGPPARAMAOB

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 — — 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR YAP1 2138/4885LTA4H 1676/4885LAP3 1435/4885

“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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