SCHEMBL7724890

SCHEMBL7724890

O=C(CC1CCCCCCC1)NCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
HPGD P15428 3/20 0.55
EPHX1 P07099 1/20 0.55
KMT2A Q03164 1/20 0.55
KEAP1 Q14145 3/20 0.54
NFE2L2 Q16236 3/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
RECQL P46063 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL13527977 0.98 EPHX2 (0.54) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL14813172 0.90 EPHX2 (0.45) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL15680573 0.83 KEAP1 (0.66) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL8848512 0.82 EPHX2 (0.55) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL628894 0.82 EPHX2 (0.55) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL7452577 0.81 EPHX2 (0.54) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL6360164 0.80 EPHX2 (0.53) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL17771351 0.80 EPHX2 (0.53) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL23016392 0.79 KEAP1 (0.57) EPHX2HPGDEPHX1KMT2AKEAP1
SCHEMBL7452574 0.79 KEAP1 (0.54) EPHX2HPGDEPHX1KMT2AKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 EPHX2 1074/4885HPGD 327/4885EPHX1 1295/4885

“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.