SCHEMBL4190095

SCHEMBL4190095

O=Cc1cc2ccccc2c(OP(=O)(O)O)c1O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.67
SRC P12931 6/20 0.47
GPR84 Q9NQS5 1/20 0.43
INPPL1 O15357 2/20 0.38
INPP5A Q14642 2/20 0.38
INPP5B P32019 1/20 0.38
PTPN1 P18031 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL12767507 0.80 ERN1 (1.00) ERN1
SCHEMBL8385853 0.80 SRC (0.51) ERN1SRCGPR84INPPL1INPP5A
SCHEMBL4204715 0.79 ERN1 (0.45) ERN1SRCGPR84INPPL1INPP5A
SCHEMBL27610136 0.79 GPR84 (0.65) ERN1SRCGPR84INPPL1INPP5A
SCHEMBL10331756 0.76 ERN1 (0.65) ERN1
SCHEMBL30071644 0.74 ERN1 (0.63) ERN1
SCHEMBL31152504 0.74 ERN1 (0.63) ERN1
SCHEMBL2943970 0.74 ERN1 (0.63) ERN1
SCHEMBL4188304 0.73 SRC (0.47) ERN1SRCGPR84INPPL1INPP5A
SCHEMBL4195560 0.73 SRC (0.47) ERN1SRCGPR84INPPL1INPP5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137532-A1 Aldolase-inhibiting aromatic compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2009-05-28 US disclosed
US-7470821-B2 Aldolase-inhibiting aromatic compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2008-12-30 US disclosed
EP-1641807-B1 AROMATIC COMPOUNDS AS ALDOLASE INHIBITORS UNIV TOULOUSE (FR) 2008-06-18 EP disclosed
US-20070043002-A1 Aldolase-inhibiting aromatic compounds UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2007-02-22 US disclosed
EP-1641807-A2 AROMATIC COMPOUNDS AS ALDOLASE INHIBITORS UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2006-04-05 EP disclosed
WO-2005012313-A2 ALDOLASE-INHIBITING AROMATIC COMPOUNDS UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2005-02-10 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 (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-20070043002-A1 Aldolase-inhibiting aromatic compounds ALDOA, DERA, AKR1B1 ERN1 2031/4885SRC 3453/4885GPR84 2546/4885
US-20090137532-A1 Aldolase-inhibiting aromatic compounds ALDOA, DERA, AKR1B1 ERN1 2031/4885SRC 3453/4885GPR84 2546/4885

“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.