SCHEMBL17845054

SCHEMBL17845054

CCCCN/C(C)=C\C(=O)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL17845055 1.00 TDP1 (0.44) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL27329821 0.77 L3MBTL1 (0.42) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL1681188 0.76 HTT (0.67) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL19609971 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1NPC1
SCHEMBL4732560 0.74 HTT (0.69) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10659801 0.74 ZDHHC20 (0.58) TDP1L3MBTL1ALDH1A1HTTKDM4E
SCHEMBL11753268 0.74 EPHX1 (0.48) HTT
SCHEMBL11753262 0.74 EPHX1 (0.48) HTT
SCHEMBL9179050 0.72 EPHX1 (0.47) —
SCHEMBL12490812 0.72 EPHX1 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233978-B1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK UNIV GENT (BE) 2021-03-03 — — EP disclosed
EP-3233978-B1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK UNIV GENT (BE) 2021-03-03 — — EP disclosed
US-10246548-B2 Compositions comprising a polymeric network UNIVERSITEIT GENT (BE) 2019-04-02 — — US disclosed
US-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK ECOLE SUPÉRIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-11-16 — — US disclosed
EP-3233978-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK Universiteit Gent (BE) 2017-10-25 — — EP disclosed
WO-2016097169-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK UNIVERSITEIT GENT (BE) 2016-06-23 — — WO disclosed
WO-2016097169-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK UNIVERSITEIT GENT (BE) 2016-06-23 — — 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-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK CHRNA5, CHRNA1, CHRM1 TDP1 2945/4885L3MBTL1 3172/4885MEN1 1300/4885
US-10246548-B2 Compositions comprising a polymeric network CHRNA5, CHRNA1, CHRM1 TDP1 2763/4885L3MBTL1 3529/4885MEN1 1129/4885

“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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