SCHEMBL5886845

SCHEMBL5886845

CCOc1cc[c]c(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 4/20 0.40
PDE5A O76074 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL5887276 0.85 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL11369493 0.81 GAPDH (0.51) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL14539204 0.78 KCNH2 (0.57) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL8532102 0.78 NQO1 (0.50) ALDH1A1MEN1KMT2AHSD17B10NPC1
SCHEMBL984344 0.77 MAOB (0.62) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL15067112 0.75 NQO1 (0.48) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL17536735 0.75 MAPT (0.39) ALDH1A1MAPTKMT2AHSD17B10RAB9A
SCHEMBL22208398 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL5907505 0.74 MAOB (0.42) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL4009384 0.74 MAP2K4 (0.46) ALDH1A1MAPTKMT2ANPC1RAB9A

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 ALDH1A1 1572/4885MAPT 2577/4885MEN1 1705/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ALDH1A1 1501/4885MAPT 4745/4885MEN1 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.