SCHEMBL2654870

SCHEMBL2654870

CCOC(=O)CCCOc1ccc(C=O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 3/20 0.52
BRD4 O60885 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
P2RY12 Q9H244 1/20 0.51
MAOB P27338 2/20 0.50
TNF P01375 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
LTA4H P09960 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
NTSR1 P30989 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 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
SCHEMBL6320060 0.90 PTPN1 (0.53) PTPN1ALDH1A1BRD4PDE3BPDE3A
SCHEMBL21601607 0.90 PTPN1 (0.53) PTPN1ALDH1A1BRD4PDE3BPDE3A
SCHEMBL14402249 0.90 BRD4 (0.51) PTPN1ALDH1A1BRD4PDE3BPDE3A
SCHEMBL6510637 0.86 ALDH1A1 (0.58) PTPN1ALDH1A1PDE3BPDE3AP2RY12
SCHEMBL6602851 0.85 BRD4 (0.53) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL1124419 0.84 ALDH1A1 (0.58) PTPN1ALDH1A1PDE3BPDE3AP2RY12
SCHEMBL5879172 0.84 ALDH1A1 (0.58) ALDH1A1PDE3BPDE3AP2RY12MAOB
SCHEMBL21601619 0.84 ALDH1A1 (0.54) PTPN1ALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL5545270 0.84 KDM4E (0.54) PTPN1ALDH1A1BRD4PDE3BPDE3A
SCHEMBL12238287 0.84 BRD4 (0.52) PTPN1BRD4PDE3BPDE3AP2RY12

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-1585517-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-10-19 EP disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004062663-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 WO disclosed
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR PTPN1 1256/4885ALDH1A1 1506/4885BRD4 208/4885

“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.