SCHEMBL20158307

SCHEMBL20158307

O=Cc1ccc(C(F)(F)F)cc1N(CCCC(O)O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NR3C1 P04150 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
SLC1A5 Q15758 1/20 0.35
MTOR P42345 1/20 0.34

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
SCHEMBL20157948 0.88 CETP (0.36) CETPMEN1KMT2ANR1H2NR1H3
SCHEMBL20137089 0.86 FFAR4 (0.39) CETPMEN1KMT2ANR1H2NR1H3
SCHEMBL29561187 0.86 FFAR4 (0.39) CETPMEN1KMT2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL20137048 0.85 FFAR4 (0.39) CETPMEN1KMT2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL29560707 0.85 FFAR4 (0.39) CETPMEN1KMT2ANR1H2NR1H3
Trifluoroacetic Acid SCHEMBL29561105 0.84 PPARG (0.39) MEN1KMT2ANR1H2NR1H3POLB
SCHEMBL20157879 0.80 KDM4E (0.37) CETPMEN1KMT2ANR1H2NR1H3
SCHEMBL20157947 0.80 PPARG (0.36) CETPNR1H2NR1H3POLBTMEM97
SCHEMBL20137037 0.80 KDM4E (0.38) CETPMEN1KMT2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL20137043 0.79 KDM4E (0.37) CETPMEN1KMT2ANR1H2NR1H3

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-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL CETP 1116/4885MEN1 2056/4885KMT2A 2263/4885

“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.