SCHEMBL6284605

SCHEMBL6284605

CC(=O)Oc1ccc2occ(C(=O)O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.63
RAB9A P51151 4/20 0.63
TSHR P16473 4/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL11362721 0.91 NPC1 (0.62) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL3375297 0.84 ALDH1A1 (0.77) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL29933548 0.84 ALDH1A1 (0.77) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL11509288 0.82 MAPT (0.68) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL11356469 0.81 NPC1 (0.61) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL6720375 0.78 MAOB (0.69) NPC1SMN1; SMN2RAB9ATSHRLMNA
SCHEMBL29933496 0.76 MAOB (0.56) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL10898831 0.76 MAOB (0.56) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL14541242 0.75 CA12 (0.58) NPC1POLBSMN1; SMN2RAB9ATSHR
SCHEMBL4130899 0.75 ALDH1A1 (1.00) NPC1POLBSMN1; SMN2RAB9ATSHR

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-6933317-B2 PGD2 receptor antagonistic pharmaceutical compositions SHIONOGI & CO. LTD. (JP) 2005-08-23 US disclosed
US-20040054003-A1 Pgd2 receptor antagonistic pharmaceutical compositions SHIONGI & CO., LTD. (JP) 2004-03-18 US disclosed
EP-1338594-A1 PGD2 RECEPTOR ANTAGONISTIC PHARMACEUTICAL COMPOSITIONS SHIONOGI & CO., LTD. (JP) 2003-08-27 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 (1 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-20040054003-A1 Pgd2 receptor antagonistic pharmaceutical compositions PTGDR, PTGDR2, HRH2 NPC1 1271/4885POLB 3557/4885SMN1; SMN2 4355/4885

“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.