SCHEMBL5887140

SCHEMBL5887140

COc1ccc(C2=C(c3ccc(Oc4ccccc4)cc3)C[CH]C(F)=C2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
PTGS1 P23219 2/20 0.40
ESR1 P03372 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BTK Q06187 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ACHE P22303 1/20 0.34
CA4 P22748 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 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
SCHEMBL5887265 0.74 LTA4H (0.49) LTA4HPTGS1ESR1TP53SMN1; SMN2
SCHEMBL15722134 0.68 LTA4H (0.86) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL5887299 0.68 LTA4H (0.43) LTA4HPTGS1TP53SMN1; SMN2HPGD
SCHEMBL17283659 0.66 LTA4H (1.00) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL491503 0.66 LTA4H (1.00) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL5886946 0.65 LTA4H (0.50) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL4307648 0.65 LTA4H (0.77) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL20694283 0.65 LTA4H (0.77) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
Phosphine SCHEMBL28324113 0.65 LTA4H (0.95) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1
Diphenylether SCHEMBL28869227 0.64 LTA4H (0.94) LTA4HSMN1; SMN2L3MBTL1MAPTMEN1

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 3106/4885PTGS1 1104/4885ESR1 850/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885PTGS1 710/4885ESR1 202/4885

“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.