SCHEMBL5887276

SCHEMBL5887276

COc1cc[c]c(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 7/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 5/20 0.48
KDM4E B2RXH2 3/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11369493 0.85 GAPDH (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5886845 0.85 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL5743296 0.77 CYP3A4 (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4009384 0.77 MAP2K4 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4008802 0.77 HSD17B10 (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4807576 0.77 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6482119 0.76 ALDH1A1 (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6389467 0.76 KMT2A (0.37) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL459934 0.76 CA12 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL746722 0.75 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414299-B1 Biocidal azoxime compounds SHELL INT RESEARCH (NL) 1994-06-15 EP claimed
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
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP 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 MAPT 2577/4885ALDH1A1 1572/4885NPC1 1831/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885ALDH1A1 1501/4885NPC1 2930/4885

“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.