SCHEMBL1552647

SCHEMBL1552647

O=Cc1ccc(OC2CCC(O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
FAAH O00519 1/20 0.43
EPHX2 P34913 1/20 0.43
CHEK2 O96017 1/20 0.42
FURIN P09958 2/20 0.41
CYP2A6 P11509 1/20 0.40
PTPN1 P18031 1/20 0.39
PARP10 Q53GL7 2/20 0.39
DRD1 P21728 1/20 0.38
ALDH1A3 P47895 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
KMT2A Q03164 1/20 0.37
STS P08842 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
SCHEMBL25362076 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL8550317 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL8547303 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL8547301 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL8547307 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL833489 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EFAAHEPHX2CYP2A6
SCHEMBL15382502 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EFAAHEPHX2CYP2A6
SCHEMBL3636729 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL510213 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EFAAHEPHX2FURIN
SCHEMBL8707560 0.77 SLC6A2 (0.53) EPHX2CHEK2FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824832-B1 ARYL-SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE ETHERS AS ANTI-CANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2011-04-27 EP disclosed
EP-1824832-A1 ARYL-SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE ETHERS AS ANTI-CANCER AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP disclosed
US-7250427-B2 Aryl-substituted benzimidazole and imidazopyridine ethers JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-31 US disclosed
WO-2006004791-A1 ARYL-SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE ETHERS AS ANTI-CANCER AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-12 WO disclosed
US-20060004039-A1 Aryl-substituted benzimidazole and imidazopyridine ethers JANSSEN PHARMACEUTICA, N. V. (BE) 2006-01-05 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-20060004039-A1 Aryl-substituted benzimidazole and imidazopyridine ethers WEE1, CDKN1A, DDB1 ALDH1A1 943/4885KDM4E 3151/4885FAAH 4708/4885

“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.