SCHEMBL4055319

SCHEMBL4055319

O=C(Cl)CCCC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ HDAC1 Q13547 5/20 0.62
▸ HDAC8 Q9BY41 5/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC4 P56524 1/20 0.62
▸ HDAC7 Q8WUI4 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ HDAC10 Q969S8 1/20 0.62
▸ HDAC11 Q96DB2 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ HDAC9 Q9UKV0 1/20 0.62
▸ HDAC5 Q9UQL6 1/20 0.62
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60

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
SCHEMBL7889843 0.96 TDP1 (0.76) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL1052631 0.89 TDP1 (0.86) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL8834212 0.87 NR4A2 (0.68) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL28065139 0.85 TDP1 (0.78) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL7068671 0.84 TDP1 (0.95) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL13783899 0.83 HDAC8 (0.67) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL503304 0.83 HDAC1 (0.88) TDP1L3MBTL1MAPTLMNAHDAC1
Lithium Ion SCHEMBL28065140 0.83 TDP1 (0.75) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL8519287 0.82 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL27516050 0.82 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1

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-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 — — EP disclosed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 — — US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 — — US disclosed
EP-1751088-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 — — EP disclosed
WO-2005110970-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — 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-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC TDP1 971/4885L3MBTL1 4437/4885MAPT 1481/4885

“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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