SCHEMBL3375173

SCHEMBL3375173

COc1ccc2oc(C(=O)O)c(Br)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.58
ALDH1A1 P00352 10/20 0.58
SMN1; SMN2 Q16637 8/20 0.56
HSD17B10 Q99714 6/20 0.56
HPGD P15428 6/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL5736633 0.83 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6234986 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL4763073 0.83 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL718439 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL28292562 0.82 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL8702456 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL716374 0.79 RAB9A (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7001218 0.77 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6240452 0.77 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5272919 0.76 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653944-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-10 EP disclosed
EP-1653944-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-10 EP disclosed
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US disclosed
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US disclosed
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US disclosed
EP-1653944-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-05-10 EP disclosed
WO-2005011670-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
WO-2005011670-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
US-20050026969-A1 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 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-20050026969-A1 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, PC KDM4E 878/4885ALDH1A1 270/4885SMN1; SMN2 3223/4885

“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.