SCHEMBL1596501

SCHEMBL1596501

COC(OC)c1ccc(OCCN2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
POLB P06746 1/20 0.51
KMO O15229 3/20 0.48
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SYK P43405 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1596995 0.84 POLB (0.52) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL1596878 0.81 POLB (0.47) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL1596468 0.79 ALDH1A1 (0.58) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL21830267 0.78 KDM4E (0.57) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL6042440 0.77 POLB (0.68) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL21681926 0.75 POLB (0.62) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL26105427 0.75 ALDH1A1 (0.64) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL23195558 0.74 KDM4E (0.61) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL3930808 0.74 KDM4E (0.61) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL21682221 0.73 POLB (0.51) ALDH1A1MAPTHTTPOLBKMO

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
US-7919517-B2 Indazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-05 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 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 (2 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-20070117856-A1 Indazole derivatives IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885MAPT 4733/4885HTT 3190/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885MAPT 4733/4885HTT 3190/4885

“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.