SCHEMBL5216940

SCHEMBL5216940

Oc1ccc(-c2nn(C3CCC3)c(-c3ccc(O)cc3)c2-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
SMPD3 Q9NY59 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
PDE4A P27815 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.37
PRKCZ Q05513 3/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
MET P08581 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5215880 0.81 ESR1 (0.52) ESR1MAPTESR2HTR2AHTR2C
SCHEMBL5252401 0.81 ESR1 (0.44) ESR1PDE4APDE4BPDE4DMAPT
SCHEMBL5219865 0.78 ESR1 (0.46) ESR1MAPTPRKCZKDM4EHTR2A
SCHEMBL5213225 0.78 ESR1 (0.49) ESR1FYNMETHTR2AHTR2C
SCHEMBL5213473 0.77 ESR1 (0.46) ESR1MAPTESR2PRKCZHTR2A
SCHEMBL5221565 0.76 ESR1 (0.45) ESR1MAPTNPC1SMN1; SMN2HTR2A
SCHEMBL5219863 0.75 ESR1 (0.50) ESR1PDE4DMAPTKDM4EHTR2A
SCHEMBL4028645 0.75 ESR1 (0.64) ESR1SMPD3PDE4APDE4BPDE4D
SCHEMBL5216693 0.74 ESR1 (0.49) ESR1MAPTKDM4EHTR2AHTR2C
SCHEMBL5215073 0.74 ESR1 (0.49) ESR1MAPTESR2KDM4EHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885SMPD3 3606/4885ADORA3 163/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885SMPD3 3606/4885ADORA3 163/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885SMPD3 3606/4885ADORA3 163/4885

“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.