SCHEMBL6482398

SCHEMBL6482398

COCCCn1c(-c2ccco2)nc2ccc(OCCCCCC(=O)OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE3A Q14432 6/20 0.47
PDE3B Q13370 5/20 0.47
P2RY12 Q9H244 4/20 0.47
PDE2A O00408 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
PDE4B Q07343 2/20 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
SCHEMBL6482033 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL6484336 0.85 PDE3B (0.50) ALDH1A1KDM4EHPGDPDE3APDE3B
SCHEMBL6475029 0.84 PDE3B (0.47) PDE3APDE3BP2RY12PDE2ADYRK1A
SCHEMBL6484254 0.84 PDE3B (0.50) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL6485249 0.84 PDE3B (0.50) ALDH1A1KDM4EPDE3APDE3BP2RY12
SCHEMBL6484943 0.83 PDE3B (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL6484869 0.83 PDE3B (0.49) ALDH1A1KDM4EPDE3APDE3BP2RY12
SCHEMBL6481683 0.83 PDE3B (0.49) ALDH1A1KDM4EPDE3APDE3BP2RY12
SCHEMBL2326950 0.82 PDE3B (0.45) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL6476172 0.82 PDE3B (0.48) ALDH1A1KDM4EHPGDPDE3APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 ALDH1A1 182/4885KDM4E 1512/4885HPGD 800/4885

“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.