SCHEMBL1092124

SCHEMBL1092124

[2H]C([2H])([2H])Oc1ccc(C(C)=O)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.73
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KCNJ1 P48048 1/20 0.41
MAPK1 P28482 1/20 0.40
GPR183 P32249 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
MLLT1 Q03111 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
OXTR P30559 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL34467327 1.00 NNMT (0.73) NNMTMKNK1MKNK2MAPTRAB9A
SCHEMBL29514668 0.87 NNMT (0.70) NNMTMKNK1MKNK2MAPTRAB9A
SCHEMBL105066 0.87 NNMT (0.70) NNMTMKNK1MKNK2MAPTRAB9A
SCHEMBL21836535 0.86 NNMT (0.73) NNMTMKNK1MKNK2MAPTHPGD
SCHEMBL23796506 0.83 NNMT (0.69) NNMTMKNK1MKNK2MAPTRAB9A
SCHEMBL1092232 0.78 NNMT (0.61) NNMTMKNK1MKNK2MAPTRAB9A
SCHEMBL1092552 0.76 MAPT (0.74) NNMTMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL14480387 0.75 ACACB (0.48) NNMTMAPTKCNJ1KMT2AALDH1A1
SCHEMBL25172927 0.75 MAPT (0.52) NNMTMAPTRAB9AHPGDLMNA
SCHEMBL1092509 0.74 MAPT (0.56) NNMTMAPTSMN1; SMN2L3MBTL1GAA

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-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US 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-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR NNMT 2457/4885MKNK1 1420/4885MKNK2 1297/4885

“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.