SCHEMBL5629601

SCHEMBL5629601

COc1ccc(COc2c(Cl)cccc2C(=O)CCC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
FFAR1 O14842 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.42
SMPD1 P17405 1/20 0.41
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 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
SCHEMBL5628637 0.80 NPC1 (0.48) FFAR1SMN1; SMN2POLBRAB9ANPC1
SCHEMBL5629610 0.77 MAOA (0.53) ALDH1A1FFAR1SMN1; SMN2POLBRAB9A
SCHEMBL5627949 0.76 MRGPRX4 (0.48) ALDH1A1FFAR1SMN1; SMN2POLBRAB9A
SCHEMBL14882719 0.75 MAOB (0.52) ALDH1A1FFAR1SMN1; SMN2POLBRAB9A
SCHEMBL14882465 0.74 HTR1A (0.53) RAB9ANPC1MAPTL3MBTL1TDP1
SCHEMBL25003017 0.72 MAOB (0.48) ALDH1A1SMN1; SMN2POLBRAB9ANPC1
SCHEMBL17952713 0.72 RAB9A (0.59) ALDH1A1FFAR1POLBRAB9ANPC1
SCHEMBL14699889 0.72 POLB (0.55) ALDH1A1FFAR1SMN1; SMN2POLBRAB9A
SCHEMBL8983017 0.72 HTR1A (0.48) FFAR1SMN1; SMN2POLBRAB9ANPC1
SCHEMBL5629550 0.71 LRRK2 (0.55) FFAR1SMN1; SMN2POLBRAB9ANPC1

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 1 patent. 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

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 ALDH1A1 1403/4885FFAR1 730/4885SMN1; 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.