SCHEMBL7212449

SCHEMBL7212449

CC(=O)OC1Cc2ccc(O)cc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.42
MAPK1 P28482 3/20 0.37
AKR1C3 P42330 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34
OPRM1 P35372 1/20 0.34
HSD17B1 P14061 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.33

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
SCHEMBL28114452 0.74 ESR2 (0.46) ESR2ALDH1A1BRD4CREBBPLMNA
SCHEMBL9938371 0.73 GABRA1 (0.47) ESR2MAPK1HSD17B10GABRA1GABRB2
SCHEMBL3466804 0.73 PGR (0.40) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL17049187 0.72 KDM4E (0.50) ESR2TSHRHSD17B10MEN1KMT2A
SCHEMBL7073390 0.72 GAA (0.42) ESR2MAPK1TSHRHSD17B10MEN1
SCHEMBL3467796 0.72 PGR (0.41) MEN1KMT2AALDH1A1BRD4CREBBP
SCHEMBL7346196 0.71 ESR2 (0.41) ESR2MAPK1TSHRALDH1A1BRD4
SCHEMBL27725432 0.71 ESR2 (0.73) ESR2MEN1KMT2AALDH1A1BRD4
SCHEMBL4621828 0.70 ESR2 (0.43) ESR2MAPK1TSHRHSD17B10MEN1
SCHEMBL7076747 0.70 HSD17B1 (0.45) ESR2TSHRHSD17B10KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP ESR2 1419/4885MAPK1 815/4885AKR1C3 1846/4885

“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.