SCHEMBL3270938

SCHEMBL3270938

CN(C)CCOc1cc(O)c2c3c(oc2c1)C(=O)c1ccccc1C3=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.52
▸ EGFR P00533 2/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ KDR P35968 2/20 0.51
▸ TOP1 P11387 3/20 0.47
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ SIGMAR1 Q99720 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
SCHEMBL15942094 0.89 TOP1 (0.55) TERTEGFRPDGFRBFGFR1KDR
SCHEMBL28629193 0.78 TOP1 (0.72) EGFRPDGFRBFGFR1KDRTOP1
SCHEMBL15950982 0.77 APP (0.61) HDAC8HDAC6ADORA3
SCHEMBL28624602 0.74 TOP1 (0.52) TERTTOP1
SCHEMBL5076738 0.73 BCL2 (0.52) —
SCHEMBL7548426 0.73 MAOA (0.60) ADORA3SIGMAR1
SCHEMBL9540725 0.71 MEN1 (0.53) EGFRPDGFRBFGFR1KDR
SCHEMBL433900 0.70 EGFR (0.71) EGFRKDRSIGMAR1
SCHEMBL1520210 0.70 NTRK1 (0.53) EGFR
SCHEMBL16823312 0.70 EGFR (0.70) EGFRKDRSIGMAR1

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
US-9956226-B2 Methods and compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-01 — — US disclosed
US-9956226-B2 Methods and compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-01 — — US disclosed
US-20150374707-A1 Methods and Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-12-31 — — US disclosed
US-20150374707-A1 Methods and Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-12-31 — — US disclosed
WO-2014124412-A2 METHODS AND COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-14 — — WO disclosed
US-7691418-B2 Composition for inhibiting or preventing the formation of a biofilm OYSTERSHELL NV (BE) 2010-04-06 — — US disclosed
US-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm OYSTERSHELL NV (BE) 2007-11-08 — — US disclosed
EP-1796656-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM Oystershell NV (BE) 2007-06-20 — — EP disclosed
WO-2006029893-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM OYSTERSHELL NV (BE) 2006-03-23 — — 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 (2 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-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm NQO2, NFKBIA, CROCC TERT 851/4885EGFR 4699/4885PDGFRB 3830/4885
US-20150374707-A1 Methods and Compounds for the Inhibition of Cellular Proliferation MKI67, PCNA, DDX21 TERT 682/4885EGFR 2041/4885PDGFRB 2331/4885

“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.

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