SCHEMBL863877

SCHEMBL863877

C=C(C)C(=O)OC(CC)CNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KLK7 P49862 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 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
SCHEMBL6569464 0.85 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL5345228 0.80 MAPT (0.40) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL6263247 0.79 MAPT (0.42) MAPTALDH1A1KLK7SMN1; SMN2HTT
SCHEMBL28199415 0.79 CTSK (0.51) ALDH1A1ELANERAB9APKM
SCHEMBL29061553 0.78 MMP12 (0.48) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL22417560 0.77 MTNR1A (0.47)
SCHEMBL11653130 0.76 HPGD (0.41) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL16594998 0.75 ALDH1A1 (0.40) MAPTALDH1A1KDM4ESMN1; SMN2GAA
Dimethylamine SCHEMBL27868377 0.75 LMNA (0.48) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL440616 0.75 TSHR (0.45) ALDH1A1

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-20120077977-A1 PROCESS FOR PREPARING (METH)ACRYLIC ESTERS OF N,N-SUBSTITUTED AMINO ALCOHOLS BASF SE (DE) 2012-03-29 US disclosed
US-20100286331-A1 TWO OR MORE-COMPONENT SYSTEM CURED BY A REDOX INITIATOR SYSTEM WITH CONTROLLABLE WORKING LIFE, AND THE USE THEREOF EVONIK ROEHM GMBH (DE) 2010-11-11 US disclosed
US-20100210784-A1 EMULSION POLYMER COMPRISING ACTIVATORS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF IN TWO-COMPONENT OR MULTICOMPONENT SYSTEMS EVONIK RÖHM GMBH (DE) 2010-08-19 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-20120077977-A1 PROCESS FOR PREPARING (METH)ACRYLIC ESTERS OF N,N-SUBSTITUTED AMINO ALCOHOLS ADH5, ADH1A, METTL14 MAPT 4143/4885ALDH1A1 303/4885KDM4E 1180/4885

“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.