SCHEMBL3487847

SCHEMBL3487847

N#Cc1ccc(C2CCc3cc(Cl)ccc3O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
HCRTR2 O43614 1/20 0.35
SLC8A1 P32418 7/20 0.35
HSD17B3 P37058 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NSD2 O96028 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NISCH Q9Y2I1 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
SCHEMBL3488386 0.92 ESR1 (0.56) ESR1ESR2HCRTR2SLC8A1MAOA
SCHEMBL11048933 0.89 ESR1 (0.57) ESR1ESR2SLC8A1CYP19A1
SCHEMBL4461737 0.87 ESR1 (0.67) ESR1ESR2SLC8A1HRH4HRH3
SCHEMBL27849981 0.87 ESR1 (0.67) ESR1ESR2SLC8A1HRH4HRH3
SCHEMBL11219441 0.82 ESR1 (0.60) ESR1ESR2SLC8A1MAOBKMT2A
SCHEMBL11053683 0.82 ESR1 (0.60) ESR1ESR2MAOBHRH3
SCHEMBL11053787 0.81 ESR1 (0.59) ESR1ESR2SLC8A1SMN1; SMN2
SCHEMBL11049466 0.78 ESR1 (0.56) ESR1ESR2SLC8A1CYP19A1MAOB
SCHEMBL11050068 0.76 ESR1 (0.60) ESR1ESR2SLC8A1
SCHEMBL11053684 0.76 ESR1 (0.60) ESR1ESR2SLC8A1MAOBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087630-A1 INFLUENZA VIRUS AND TYPE 1 DIABETES OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-03-19 US disclosed
US-20180273912-A1 INFLUENZA VIRUS AND TYPE 1 DIABETES OSPEDALE SAN RAFFAELE S.R.L. (IT) 2018-09-27 US disclosed
US-20150299667-A1 INFLUENZA VIRUS AND TYPE 1 DIABETES OSPEDALE SAN RAFFAELE S.R.L. (IT) 2015-10-22 US disclosed
EP-2906231-A2 INFLUENZA VIRUS AND TYPE 1 DIABETES Ospedale San Raffaele S.r.l. (IT) 2015-08-19 EP disclosed
US-20100047273-A1 Coxsackie B virus and type 1 diabetes RAPPUOLI RINO 2010-02-25 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-20100047273-A1 Coxsackie B virus and type 1 diabetes IAPP, IRS1, RNASE1 ESR1 3889/4885ESR2 2792/4885HCRTR2 4076/4885

“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.