SCHEMBL883449

SCHEMBL883449

O=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.46
AR P10275 3/20 0.42
KDR P35968 4/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SCN9A Q15858 3/20 0.41
RAF1 P04049 2/20 0.40
HDAC3 O15379 1/20 0.40
BRAF P15056 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
IDO1 P14902 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
SCHEMBL876289 0.92 CHEK2 (0.47) CHEK2ARKDRPPARGPPARA
SCHEMBL15096322 0.88 MEN1 (0.40) CHEK2ARKDRSCN9ABRAF
SCHEMBL15823461 0.88 AR (0.56) CHEK2ARKDR
SCHEMBL364785 0.86 ALDH1A1 (0.55) CHEK2ARSCN9ARAF1BRAF
SCHEMBL16199415 0.86 CHEK2 (0.41) CHEK2ARKDRPPARGPPARA
SCHEMBL875970 0.85 AR (0.54) ARKDR
SCHEMBL29985730 0.84 AR (0.46) CHEK2ARKDRPPARGPPARA
SCHEMBL875004 0.84 AR (0.46) CHEK2ARKDRPPARGPPARA
SCHEMBL8550194 0.84 AR (0.44) ARSCN9A
SCHEMBL16362941 0.83 AR (0.41) CHEK2ARKDRPPARGPPARA

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-2731935-B1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF AGRO BV (NL) 2016-03-09 EP 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-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

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 CHEK2 3892/4885AR 3517/4885KDR 1285/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CHEK2 3892/4885AR 3517/4885KDR 1285/4885

“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.