SCHEMBL14675604

SCHEMBL14675604

O/N=C/c1cc(O)ccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
ESR2 Q92731 5/20 0.50
BACE1 P56817 2/20 0.48
PELI1 Q96FA3 1/20 0.45
CYP26A1 O43174 1/20 0.43
ESR1 P03372 6/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40

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
SCHEMBL14675605 1.00 ALOX5 (0.55) ALOX5ESR2BACE1PELI1CYP26A1
SCHEMBL2160707 0.79 GRIN2D (0.59) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2160705 0.79 GRIN2D (0.59) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3323469 0.79 GRIN2D (0.59) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4887803 0.78 ESR2 (0.47) ESR2BACE1ESR1CA12CA1
SCHEMBL1647333 0.78 ALOX5 (0.59) ALOX5ESR2BACE1PELI1CYP26A1
SCHEMBL4887808 0.78 ESR2 (0.47) ESR2BACE1ESR1CA12CA1
SCHEMBL32674544 0.78 ALOX5 (0.59) ALOX5ESR2BACE1PELI1CYP26A1
SCHEMBL11243261 0.75 PELI1 (0.49) ALOX5ESR2BACE1PELI1GRIN2D
SCHEMBL5150620 0.74 ESR2 (0.47) ALOX5ESR2PELI1ESR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739609-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-07-17 EP disclosed
US-20170128434-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2017-05-11 US disclosed
US-9586891-B2 Estrogen receptor ligands KARO PHARMA AB (SE) 2017-03-07 US disclosed
US-20140323518-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2014-10-30 US disclosed
EP-2739609-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2014-06-11 EP disclosed
WO-2013017654-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2013-02-07 WO 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-20170128434-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 ALOX5 3167/4885ESR2 4/4885BACE1 3509/4885
US-20140323518-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 ALOX5 3167/4885ESR2 4/4885BACE1 3509/4885

“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.