SCHEMBL4355741

SCHEMBL4355741

NCCCOc1cc(N)cc(OCCCN)c1OCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.35
▸ MAOA P21397 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ODC1 P11926 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL4360166 0.89 KDM4E (0.46) HTR1BKDM4ESMN1; SMN2GAAMAPT
SCHEMBL6608551 0.78 KMT2A (0.53) KDM4ESMN1; SMN2GAAMAPTTSHR
SCHEMBL989755 0.78 TSHR (0.50) KDM4EGAAMAPTTSHRMEN1
SCHEMBL4358621 0.75 TSHR (0.59) HTR1BKDM4ESMN1; SMN2TSHRMEN1
SCHEMBL15036875 0.74 HTR1B (0.45) HTR1BKDM4EMAOASMN1; SMN2TP53
SCHEMBL4355838 0.73 ALDH1A1 (0.48) HTR1BODC1MAPTTSHRALDH1A1
SCHEMBL16419784 0.72 HTR1B (0.40) HTR1BKDM4EMAOASMN1; SMN2MAPT
SCHEMBL17506938 0.72 L3MBTL1 (0.38) KDM4EGAAMAPTMEN1ALDH1A1
SCHEMBL11258551 0.71 GAA (0.65) HTR1BKDM4ESMN1; SMN2GAAMAPT
SCHEMBL29651751 0.70 TLR8 (0.40) SMN1; SMN2GAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 — — EP claimed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 — — US claimed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 — — WO claimed
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 — — EP disclosed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 — — US disclosed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 — — 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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 HTR1B 2473/4885KDM4E 4472/4885MAOA 1771/4885

“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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