SCHEMBL18349239

SCHEMBL18349239

CN(C)c1ccc(/C=C/c2cc[n+](C(CC(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CASP1 P29466 2/20 0.48
HBB P68871 2/20 0.48
HTT P42858 2/20 0.48
BRCA1 P38398 1/20 0.48
CASP7 P55210 1/20 0.48
LMNA P02545 1/20 0.48
ALPG P10696 1/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B3 P37058 1/20 0.45
RELA Q04206 1/20 0.45
APP P05067 4/20 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
SCHEMBL18349257 0.91 HSD17B3 (0.48) ALDH1A1GAAL3MBTL1MAPTKMT2A
SCHEMBL18349198 0.90 MAPT (0.46) ALDH1A1GAAL3MBTL1MAPTKMT2A
SCHEMBL18349243 0.82 CYP19A1 (0.41) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL20285872 0.81 HSD17B3 (0.46) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL19860015 0.80 KMT2A (0.47) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL18349214 0.76 MEN1 (0.46) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL20285888 0.76 RAD52 (0.56) ALDH1A1GAAL3MBTL1MAPTKMT2A
SCHEMBL9915919 0.76 KDM4A (0.56) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL15797226 0.74 KDM4A (0.58) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL15797224 0.74 KDM4A (0.58) ALDH1A1GAAMAPTKMT2AMEN1

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-20180170953-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2018-06-21 US disclosed
US-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 US disclosed
US-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2016-12-29 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-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER TP53, MKI67, FLT3 ALDH1A1 1759/4885GAA 741/4885L3MBTL1 2269/4885
US-20180170953-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER TP53, MKI67, FLT3 ALDH1A1 1759/4885GAA 741/4885L3MBTL1 2269/4885

“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.