SCHEMBL6320060

SCHEMBL6320060

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
BRD4 O60885 1/20 0.51
TUBB1 Q9H4B7 1/20 0.50
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
P2RY12 Q9H244 1/20 0.48
LTA4H P09960 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
PDK2 Q15119 2/20 0.46
TNF P01375 1/20 0.45

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
SCHEMBL5545270 0.91 KDM4E (0.54) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL2654870 0.90 PTPN1 (0.55) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL5550259 0.90 KDM4E (0.53) PTPN1BRD4TUBB1LTA4HALDH1A1
SCHEMBL5883497 0.89 LTA4H (0.46) PTPN1BRD4TUBB1PDE3BPDE3A
SCHEMBL11784162 0.86 ALDH1A1 (0.58) PTPN1TUBB1PDE3BPDE3AP2RY12
SCHEMBL8782679 0.85 BRD4 (0.53) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL12238287 0.84 BRD4 (0.52) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL9118612 0.84 BRD4 (0.52) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL6600258 0.83 PDE3B (0.45) PTPN1BRD4PDE3BPDE3AP2RY12
SCHEMBL14402249 0.82 BRD4 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969726-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-11-29 US disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR PTPN1 1256/4885BRD4 208/4885TUBB1 1497/4885

“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.