SCHEMBL5887233

SCHEMBL5887233

COc1ccc(-c2[c]c3ccccc3cc2-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
GSTP1 P09211 1/20 0.43
BTK Q06187 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
MCL1 Q07820 1/20 0.41
BACE1 P56817 1/20 0.41
ACACA Q13085 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
GAPDH P04406 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CA4 P22748 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL5887304 0.93 ABL1 (0.47) ABL1ABCB1BCRBACE1ACACA
SCHEMBL5887216 0.86 AURKA (0.45) ABL1ABCB1BCRBACE1ACACA
SCHEMBL5887390 0.82 ABL1 (0.37) ABL1ABCB1BCRGPR84NPC1
SCHEMBL5887465 0.80 ABL1 (0.41) ABL1ABCB1BCRBACE1GPR84
SCHEMBL667985 0.79 ALDH1A1 (0.38) BACE1GPR84RAB9AMEN1KMT2A
SCHEMBL5887111 0.78 MAPT (0.48) GAPDHNPC1RAB9AMEN1KMT2A
SCHEMBL4808028 0.76 MEN1 (0.45) GPR84NPC1RAB9AMEN1KMT2A
SCHEMBL6400913 0.73 ESR2 (0.44) ABL1ABCB1BCRGPR84GAPDH
SCHEMBL5887333 0.73 LTA4H (0.49) LTA4HBTKMCL1ACACAGPR84
SCHEMBL15722134 0.72 LTA4H (0.86) LTA4HGSTP1ABL1ABCB1BCR

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 3106/4885GSTP1 4210/4885BTK 1960/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885GSTP1 4526/4885BTK 1868/4885

“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.