SCHEMBL4033224

SCHEMBL4033224

COC(OC)c1coc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.49
ENPP1 P22413 2/20 0.49
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL2226098 0.83 NPC1 (0.45) ENPP3ENPP1NPC1RAB9AHDAC1
SCHEMBL14701593 0.80 ALDH1A1 (0.46) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL23558942 0.77 ALDH1A1 (0.44) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL7158026 0.77 ALDH1A1 (0.47) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL7210652 0.77 ALDH1A1 (0.47) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL30765878 0.77 ALDH1A1 (0.47) ENPP3ENPP1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL30765949 0.76 ALDH1A1 (0.46) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL10719152 0.73 ENPP3 (0.57) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL3951956 0.70 ENPP3 (0.53) ENPP3ENPP1ALDH1A1NPC1RAB9A
SCHEMBL27820801 0.69 ALDH1A1 (0.46) ENPP3ENPP1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK ENPP3 3875/4885ENPP1 2760/4885ALDH1A1 176/4885

“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.