SCHEMBL5887161

SCHEMBL5887161

COc1ccc(C2=C(SC(F)(F)F)C(c3ccc(Oc4ccccc4)cc3)=CC[CH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
BACE1 P56817 3/20 0.35
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
CA4 P22748 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
PGR P06401 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PTPN1 P18031 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL5887421 0.81 LTA4H (0.44) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887462 0.81 EGFR (0.33) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5887387 0.80 LTA4H (0.51) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887293 0.79 LTA4H (0.50) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887281 0.78 LTA4H (0.49) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887002 0.78 LTA4H (0.49) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887218 0.76 LTA4H (0.46) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887277 0.75 LTA4H (0.45) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5887299 0.73 LTA4H (0.43) LTA4HBACE1HTTALDH1A1MEN1
SCHEMBL5886923 0.73 LTA4H (0.43) LTA4HBACE1HTTALDH1A1MEN1

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
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (2 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R LTA4H 3106/4885BACE1 944/4885HTT 977/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885BACE1 1420/4885HTT 2595/4885

“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.