SCHEMBL10138583

SCHEMBL10138583

CCOC(=O)c1ccc(OCCOc2ccc(-c3cncc4ccc(C(N)=O)cc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHEK2 O96017 4/20 0.46
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
SLC22A12 Q96S37 4/20 0.45
DHFR P00374 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TBXAS1 P24557 1/20 0.43
STS P08842 1/20 0.41

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
SCHEMBL10138550 0.90 MAPT (0.51) TDP1L3MBTL1CHEK2SLC22A12RAB9A
SCHEMBL10138305 0.87 CHEK2 (0.60) CHEK2SLC22A12
SCHEMBL578534 0.87 CHEK2 (0.54) CHEK2SLC22A12
SCHEMBL10138549 0.86 SLC22A12 (0.58) CHEK2SLC22A12
SCHEMBL578814 0.84 CHEK2 (0.49) L3MBTL1CHEK2SLC22A12
SCHEMBL10138338 0.81 SLC22A12 (0.47) CHEK2SLC22A12NPC1RAB9AHSD17B10
SCHEMBL10138379 0.81 SLC22A12 (0.44) CHEK2SLC22A12
SCHEMBL578333 0.80 MAP4K4 (0.61) CHEK2SLC22A12
SCHEMBL10138348 0.80 SLC22A12 (0.51) SLC22A12RAB9A
SCHEMBL10138361 0.79 PRKCZ (0.43) CHEK2SLC22A12

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-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 WO 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 TDP1 4614/4885L3MBTL1 2889/4885CHEK2 3070/4885

“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.