SCHEMBL1728482

SCHEMBL1728482

Fc1cc(-n2ccc3c(OCc4ccccc4)c(F)ccc32)ccc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.39
ROCK1 Q13464 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
KDM1A O60341 4/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
HTR6 P50406 1/20 0.37
ERN1 O75460 1/20 0.37
MAPT P10636 1/20 0.35
PTGER1 P34995 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1014598 0.86 ROCK1 (0.53) S1PR5ROCK1FFAR4KDM1AMRGPRX4
SCHEMBL1014177 0.83 ROCK1 (0.43) S1PR5ROCK1FFAR4KDM1AMRGPRX4
SCHEMBL13748568 0.81 HTR1A (0.45) S1PR5ROCK1FFAR4PTGER1CYP2C9
SCHEMBL1727695 0.81 S1PR5 (0.38) S1PR5FFAR4KDM1AMRGPRX4HTR6
SCHEMBL1016697 0.80 S1PR5 (0.40) S1PR5ROCK1KDM1AMRGPRX4ERN1
SCHEMBL1013518 0.80 S1PR5 (0.38) S1PR5ROCK1KDM1AMRGPRX4PTGER1
SCHEMBL1014339 0.79 FFAR4 (0.56) ROCK1FFAR4KDM1AMRGPRX4HTR6
SCHEMBL13748521 0.76 MRGPRX4 (0.40) S1PR5MRGPRX4ERN1MAPT
SCHEMBL1727591 0.76 MAOB (0.36) S1PR5FFAR4
SCHEMBL12532035 0.76 S1PR5 (0.35) S1PR5ROCK1FFAR4KDM1AMRGPRX4

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
WO-2012009617-A3 METHODS, STORAGE MEDIUMS, AND SYSTEMS FOR ANALYZING PARTICLE QUANTITY AND DISTRIBUTION WITHIN AN IMAGING REGION OF AN ASSAY ANALYSIS SYSTEM AND FOR EVALUATING THE PERFORMANCE OF A FOCUSING ROUTING PERFORMED ON AN ASSAY ANALYSIS SYSTEM LUMINEX CORPORATION (US) 2012-05-10 WO disclosed
EP-2271617-B1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LTD (GB) 2011-11-30 EP disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 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-20100324106-A1 COMPOUNDS ESR2, GPER1, ESR1 S1PR5 893/4885ROCK1 1875/4885FFAR4 244/4885

“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.