SCHEMBL273429

SCHEMBL273429

CCCOc1ccc(OCCC)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
TUBB1 Q9H4B7 2/20 0.50
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MDM2 Q00987 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL1790721 0.93 TUBB1 (0.50) ERN1TUBB1KDM4ERAB9AHPGD
SCHEMBL31166254 0.92 TUBB1 (0.61) ERN1TUBB1KDM4ERAB9AHPGD
SCHEMBL5449064 0.88 MDM2 (0.52) ERN1KDM4ERAB9AHPGDALDH1A1
SCHEMBL18199319 0.87 ERN1 (0.50) ERN1HPGDALDH1A1SMN1; SMN2MDM2
SCHEMBL15728130 0.85 TUBB1 (0.61) ERN1TUBB1KDM4ERAB9AALDH1A1
SCHEMBL4067770 0.85 MDM2 (0.50) ERN1KDM4ERAB9AHPGDALDH1A1
SCHEMBL271557 0.84 LMNA (0.51) ERN1TUBB1KDM4ERAB9AALDH1A1
SCHEMBL5885093 0.83 TUBB1 (0.59) ERN1TUBB1KDM4ERAB9AALDH1A1
SCHEMBL29142665 0.83 ALDH1A1 (0.48) TUBB1KDM4ERAB9AHPGDALDH1A1
SCHEMBL30712871 0.83 ALDH1A1 (0.48) TUBB1KDM4ERAB9AHPGDALDH1A1

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
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
CN-102212274-A Triphenylamine-phenyl organic dye and application thereof UNIV TIANJIN TECHNOLOGY 2011-10-12 CN disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 ERN1 2576/4885TUBB1 4074/4885KDM4E 3124/4885

“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.