SCHEMBL20485804

SCHEMBL20485804

CCn1nccc1[C@H]1CCC[C@@H]1[O]

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 3/20 0.32
PDE2A O00408 1/20 0.32
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL20485796 1.00 AKT1 (0.34) AKT1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL20485938 0.97 AKT1 (0.36) AKT1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL20485972 0.95 AKT1 (0.35) AKT1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL17454964 0.83 ALDH1A1 (0.30) ALDH1A1PDE2A
SCHEMBL15464699 0.81 ALDH1A1 (0.32) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL15465123 0.81 ALDH1A1 (0.32) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL15465508 0.81 ALDH1A1 (0.32) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL18192096 0.81 ALDH1A1 (0.32) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL20485790 0.79 SCN9A (0.38) AKT1
SCHEMBL20486319 0.79 SCN9A (0.38) AKT1

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-10316026-B2 Method for removing dimethoxybenzyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-06-11 US disclosed
EP-3372583-A1 METHOD FOR REMOVING DIMETHOXYBENZYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-09-12 EP disclosed
US-20180251448-A1 METHOD FOR REMOVING DIMETHOXYBENZYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-09-06 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 (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-20180251448-A1 METHOD FOR REMOVING DIMETHOXYBENZYL GROUP DDT, ALKBH5, DDO AKT1 2012/4885MEN1 425/4885KMT2A 246/4885
US-10316026-B2 Method for removing dimethoxybenzyl group DDT, ALKBH5, DDO AKT1 2012/4885MEN1 425/4885KMT2A 246/4885

“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.