SCHEMBL5886946

SCHEMBL5886946

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
CA4 P22748 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
GSK3B P49841 1/20 0.37
MCL1 Q07820 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TNK2 Q07912 1/20 0.36
BACE1 P56817 1/20 0.36
PGR P06401 2/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ERN1 O75460 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5887293 0.75 LTA4H (0.50) LTA4HCA4MEN1KMT2AMAPT
SCHEMBL15722134 0.73 LTA4H (0.86) LTA4HCA4MEN1KMT2AMAPT
SCHEMBL491503 0.71 LTA4H (1.00) LTA4HCA4MEN1KMT2AMAPT
SCHEMBL17283659 0.71 LTA4H (1.00) LTA4HCA4MEN1KMT2AMAPT
SCHEMBL4307648 0.69 LTA4H (0.77) LTA4HCA4MEN1KMT2AMAPT
SCHEMBL20694283 0.69 LTA4H (0.77) LTA4HCA4MEN1KMT2AMAPT
Phosphine SCHEMBL28324113 0.69 LTA4H (0.95) LTA4HCA4MEN1KMT2AMAPT
Diphenylether SCHEMBL818919 0.69 LTA4H (0.94) LTA4HCA4MEN1KMT2AMAPT
Diphenylether SCHEMBL28869227 0.69 LTA4H (0.94) LTA4HCA4MEN1KMT2AMAPT
SCHEMBL5887265 0.69 LTA4H (0.49) LTA4HCA4MEN1KMT2AMAPT

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 3106/4885CA4 3880/4885MEN1 1705/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885CA4 2629/4885MEN1 2294/4885

“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.