SCHEMBL876172

SCHEMBL876172

Cc1ccc(Oc2ccc(CCO)cc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
FFAR4 Q5NUL3 4/20 0.41
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
GCK P35557 1/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ERBB3 P21860 1/20 0.35
ERBB4 Q15303 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
SCHEMBL876063 0.89 PPARD (0.44) PPARDFFAR4GCKEGFRERBB2
SCHEMBL9889531 0.86 PPARD (0.39) PPARDS1PR1S1PR3ROCK2ROCK1
SCHEMBL876505 0.82 PLAAT3 (0.43) S1PR1S1PR3
SCHEMBL9889509 0.80 P2RX3 (0.43)
SCHEMBL9104846 0.79 S1PR1 (0.36) PPARDS1PR1S1PR3ROCK2ROCK1
SCHEMBL15096519 0.77 TRPA1 (0.46) PPARDFFAR4EGFRERBB2ERBB3
SCHEMBL9904465 0.77 ROCK2 (0.41) S1PR1S1PR3ROCK2ROCK1
SCHEMBL9889458 0.76 HTR2A (0.42) S1PR1S1PR3ROCK2ROCK1
SCHEMBL1406561 0.76 EGFR (0.40) FFAR4EGFRERBB2ERBB3ERBB4
SCHEMBL25048113 0.76 FFAR1 (0.45) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 PPARD 1114/4885FFAR4 464/4885S1PR1 322/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 PPARD 1114/4885FFAR4 464/4885S1PR1 322/4885

“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.