SCHEMBL7220549

SCHEMBL7220549

O=C(NCCN1CCOCC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
EPHX1 P07099 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.42
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7213812 0.93 ALDH1A1 (0.61) ALDH1A1EPHX1GAATSHREPHX2
SCHEMBL7220238 0.90 CA12 (0.40) ALDH1A1
SCHEMBL27457772 0.90 CA12 (0.40) ALDH1A1
SCHEMBL7213907 0.90 CA12 (0.40) ALDH1A1
SCHEMBL7213998 0.87 SIGMAR1 (0.46) ALDH1A1TSHR
SCHEMBL7220288 0.84 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7214697 0.83 EPHX1 (0.33) ALDH1A1EPHX1L3MBTL1
SCHEMBL7216051 0.83 ALDH1A1 (0.47) ALDH1A1EPHX1GAATSHRTDP1
SCHEMBL7213837 0.83 ALDH1A1 (0.47) ALDH1A1EPHX1GAATSHRTDP1
SCHEMBL7214420 0.81 HDAC1 (0.32) ALDH1A1EPHX1

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-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents TNF, NFKBIA, CHUK ALDH1A1 740/4885EPHX1 2515/4885GAA 570/4885

“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.