SCHEMBL5887325

SCHEMBL5887325

Cc1ccc(C2=CC[CH]C(c3ccc(Cl)c(Cl)c3)=C2C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.33
ALKBH3 Q96Q83 1/20 0.33
MAOB P27338 3/20 0.32
EGFR P00533 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL5887245 0.86 AR (0.31)
SCHEMBL5887144 0.85 PTGS2 (0.34)
SCHEMBL5887236 0.85 ESR2 (0.35)
SCHEMBL5887415 0.82 AHR (0.38) AHRALKBH3MAOBEGFRAKR1C2
SCHEMBL5887212 0.82 ALKBH3 (0.39) AHRALKBH3MAOBEGFRAKR1C2
SCHEMBL5887178 0.81 AHR (0.31) AHRALKBH3MAOB
SCHEMBL5887332 0.81 MRGPRX1 (0.31) AHRALKBH3MAOBPDE3ASLC6A3
SCHEMBL5887450 0.81 KIF11 (0.36) CYP1B1
SCHEMBL5887446 0.80 ALKBH3 (0.39) AHRALKBH3MAOBEGFRAKR1C3
SCHEMBL5887017 0.80 EGFR (0.38) AHRALKBH3MAOBEGFRAKR1C2

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