SCHEMBL5886872

SCHEMBL5886872

COc1ccc(-c2[c]c(-c3ccc4c(c3)OCO4)cc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EDNRA P25101 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FLT3 P36888 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5886881 0.84 KDM4E (0.48) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5886847 0.78 KDM4E (0.41) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5887333 0.78 LTA4H (0.49) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5887111 0.77 MAPT (0.48) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL6482119 0.73 ALDH1A1 (0.64) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5887230 0.73 KDM4E (0.41) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5887276 0.68 MAPT (0.48) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL22100264 0.68 ALDH1A1 (0.61) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4009084 0.68 NPC1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4810852 0.68 ALDH1A1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2NPC1

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 MAPT 2577/4885ALDH1A1 1572/4885HPGD 1690/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885ALDH1A1 1501/4885HPGD 1666/4885

“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.