SCHEMBL1124859

SCHEMBL1124859

Oc1cccc(COBOCc2cccc(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
DRD2 P14416 2/20 0.50
DRD1 P21728 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
CA12 O43570 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 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
SCHEMBL17028590 0.77 ENPP2 (0.58) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL8426740 0.76 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL6341765 0.76 ENPP2 (0.61) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL3150055 0.76 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL29713840 0.76 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
Hydrochloric Acid SCHEMBL8873601 0.74 IDO1 (0.62) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL28897624 0.74 ENPP2 (0.54) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL30539527 0.74 ENPP2 (0.54) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL723832 0.74 DRD2 (0.74) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL70267 0.74 ENPP2 (0.65) ENPP2DRD2DRD1TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 ENPP2 388/4885DRD2 2078/4885DRD1 1865/4885
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 ENPP2 1078/4885DRD2 4749/4885DRD1 4811/4885

“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.