SCHEMBL12420728

SCHEMBL12420728

CN(CC1CCCCC1)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMO O15229 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
PPM1D O15297 2/20 0.44
HTT P42858 1/20 0.43
PPARA Q07869 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL12420737 0.82 PTGES (0.53) NPC1TRPV1PTGESALOX5DAO
SCHEMBL15998771 0.78 TRPV1 (0.46) SMN1; SMN2NPC1KDM4ERAB9AHSD17B10
SCHEMBL26145000 0.77 KDM4E (0.52) SMN1; SMN2NPC1KDM4ERAB9AGFER
SCHEMBL1574123 0.76 PPARA (0.50) HSD17B10KMOPPARATDP1ALDH1A1
SCHEMBL28310217 0.75 PPARA (0.47) SMN1; SMN2NPC1KDM4ERAB9AGFER
SCHEMBL2668733 0.73 NPC1 (0.49) SMN1; SMN2NPC1KDM4ERAB9AGFER
SCHEMBL2151111 0.73 BCHE (0.39) SMN1; SMN2NPC1KDM4ERAB9AGFER
SCHEMBL9005670 0.72 PPM1D (0.64) KMOPPM1DCYP2C9
SCHEMBL9005566 0.72 PPM1D (0.64) KMOPPM1DCYP2C9
SCHEMBL28508093 0.72 PPARA (0.47) SMN1; SMN2NPC1KDM4ERAB9AHSD17B10

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R SMN1; SMN2 2305/4885NPC1 2409/4885KDM4E 1146/4885

“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.