SCHEMBL5887180

SCHEMBL5887180

Cc1ccc(C2=C(c3ccc(Cl)c(Cl)c3)[CH]CC=C2OC(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.33
AHR P35869 1/20 0.31
MAOB P27338 3/20 0.30
KMO O15229 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE3A Q14432 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL6047593 0.85 ALKBH3 (0.36) ALKBH3AHRMAOBSLC6A2SLC6A4
SCHEMBL5887386 0.83 RAD51 (0.36) MAPTMAPK1RECQLL3MBTL1
SCHEMBL5887332 0.81 MRGPRX1 (0.31) ALKBH3AHRMAOBMAPTMAPK1
SCHEMBL5887325 0.76 AHR (0.33) ALKBH3AHRMAOBPDE3ASLC6A3
SCHEMBL5887178 0.71 AHR (0.31) ALKBH3AHRMAOB
SCHEMBL5887212 0.71 ALKBH3 (0.39) ALKBH3AHRMAOBMAPTRECQL
SCHEMBL5887415 0.71 AHR (0.38) ALKBH3AHRMAOBMAPTPDE3A
SCHEMBL5887105 0.70 ESR2 (0.35) MAPTSLC6A3
SCHEMBL5887143 0.70 PTGS2 (0.35) ALKBH3
SCHEMBL5887032 0.70 PTGS2 (0.35) ALKBH3

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 ALKBH3 3753/4885AHR 16/4885MAOB 1004/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ALKBH3 3208/4885AHR 28/4885MAOB 2097/4885

“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.