SCHEMBL5628637

SCHEMBL5628637

COc1ccc(COc2ccccc2C(=O)CCC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
ABCB1 P08183 2/20 0.48
RXRA P19793 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
FFAR1 O14842 1/20 0.47
PARP1 P09874 1/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5627323 0.88 SGMS2 (0.55) NPC1SMN1; SMN2GAAABCB1PARP1
SCHEMBL5631480 0.86 KMT2A (0.56) NPC1RAB9AKDM4EPARP1PLA2G1B
SCHEMBL4938231 0.85 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL31658724 0.85 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL5793748 0.84 ABCB1 (0.57) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL5629610 0.84 MAOA (0.53) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL5629550 0.83 LRRK2 (0.55) NPC1RAB9ASMN1; SMN2FFAR1POLB
SCHEMBL5627949 0.83 MRGPRX4 (0.48) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL1388037 0.82 RXRA (0.60) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL21443892 0.81 ABCB1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EGAA

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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO 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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR NPC1 2993/4885RAB9A 313/4885SMN1; SMN2 1476/4885

“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.