SCHEMBL3143544

SCHEMBL3143544

CCOC(=O)c1ccc(OC)c(OCCN(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.58
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL6986796 0.88 DRD2 (0.58) THRATHRBDRD2DRD3HRH3
SCHEMBL31096065 0.86 HSD17B2 (0.64) HSD17B2HRH3MAPTTSHRLMNA
SCHEMBL21079240 0.86 ALDH1A1 (0.56) HSD17B2THRATHRBHRH3MAPT
SCHEMBL5071192 0.85 CA12 (0.57) HSD17B2THRATHRBHRH3MAPT
Hydrochloric Acid SCHEMBL3148404 0.84 HSD17B2 (0.62) HSD17B2MAPTALDH1A1LMNAMEN1
SCHEMBL3372010 0.84 HSD17B2 (0.61) HSD17B2THRBMAPTALDH1A1TSHR
SCHEMBL5972090 0.83 CA12 (0.63) THRATHRBDRD2DRD3HRH3
SCHEMBL3372421 0.83 HSD17B2 (0.57) HSD17B2MAPTALDH1A1TSHRLMNA
SCHEMBL30506315 0.83 HSD17B2 (0.76) HSD17B2MAPTALDH1A1TSHRLMNA
SCHEMBL1660365 0.83 HSD17B2 (0.76) HSD17B2MAPTALDH1A1TSHRLMNA

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-7687546-B2 Quaternary ammonium compound, process for producing the same, therapeutic agent for cerebrovascular disorder, and therapeutic agent for heart disease ACTIVUS PHARMA CO., LTD. (JP) 2010-03-30 US disclosed
US-20080269345-A1 Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-10-30 US disclosed
EP-1736464-A1 QUATERNARY AMMONIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, THERAPEUTIC AGENT FOR CEREBROVASCULAR DISORDER, AND THERAPEUTIC AGENT FOR HEART DISEASE Dainippon Ink and Chemicals, Incorporated (JP) 2006-12-27 EP 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-20080269345-A1 Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease HRH4, KCNH3, ARGLU1 HSD17B2 2073/4885THRA 2673/4885THRB 3007/4885

“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.