SCHEMBL3940686

SCHEMBL3940686

O=C(O)CCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.45
LTB4R Q15722 2/20 0.44
LIPE Q05469 4/20 0.44
HPGD P15428 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
BCHE P06276 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL10848575 0.86 MRGPRX4 (0.49) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL4688851 0.86 KMT2A (0.51) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL8501956 0.86 LMNA (0.60) RAB9ALMNALIPEPLAAT3PLAAT5
SCHEMBL13506423 0.85 HPGD (0.66) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL20808089 0.84 MRGPRX4 (0.56) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL8466775 0.82 LIPE (0.51) MRGPRX4RAB9ALMNALIPEHPGD
SCHEMBL5080403 0.80 MRGPRX4 (0.48) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL831499 0.80 MRGPRX4 (0.48) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL5764034 0.80 HPGD (0.46) MRGPRX4L3MBTL1RAB9ALMNAKMT2A
SCHEMBL5076062 0.79 MRGPRX4 (0.47) MRGPRX4L3MBTL1RAB9ALMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019593-A1 PRO-DRUGS OF TERTIARY ALCOHOLS Merck & Co., Inc. (US) 2009-02-04 EP disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH MRGPRX4 83/4885L3MBTL1 3168/4885RAB9A 1073/4885

“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.