SCHEMBL6470291

SCHEMBL6470291

Cc1sc2cc(OCCCCNC(C)O)ccc2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 6/20 0.36
▸ PPARA Q07869 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PDE2A O00408 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
SCHEMBL5039085 0.85 TP53 (0.45) PPARDPPARAKDM4EALDH1A1ESR1
SCHEMBL5040466 0.84 ESR1 (0.39) PPARDPPARAKDM4EALDH1A1ESR1
SCHEMBL5039979 0.83 PPARD (0.41) PPARDPPARAESR1ESR2ENPP3
SCHEMBL5035534 0.83 PPARD (0.39) PPARDPPARAKDM4EESR1ESR2
SCHEMBL5038699 0.83 PPARD (0.37) PPARDPPARAESR1ESR2ENPP3
SCHEMBL5040469 0.82 PPARD (0.37) PPARDPPARAESR1ESR2ENPP3
SCHEMBL7044361 0.80 PPARD (0.40) PPARDPPARAESR1ESR2ENPP3
SCHEMBL5040082 0.80 PPARD (0.38) PPARDPPARAESR1ESR2ENPP3
SCHEMBL5045520 0.77 LSS (0.53) PPARDPPARA
SCHEMBL5046003 0.77 ESR1 (0.51) ESR1ESR2ENPP3ENPP1

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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 — — 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 PPARD 2148/4885PPARA 2335/4885KDM4E 4319/4885

“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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