SCHEMBL876272

SCHEMBL876272

Oc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
HSP90AA1 P07900 1/20 0.47
IDO1 P14902 2/20 0.46
CHEK2 O96017 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
RAF1 P04049 2/20 0.44
KDR P35968 2/20 0.44
HDAC3 O15379 1/20 0.44
BRAF P15056 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL27533351 0.85 RAB9A (0.53) ARHSP90AA1IDO1PPARGPPARA
SCHEMBL5668761 0.84 PPARG (0.52) ARIDO1CHEK2PPARGPPARA
SCHEMBL12732790 0.83 HSP90AA1 (0.45) ARMEN1KMT2AHSP90AA1IDO1
SCHEMBL6511184 0.83 MAOA (0.50) ARMEN1KMT2AIDO1CHEK2
SCHEMBL18235652 0.83 AR (0.49) ARMEN1KMT2AIDO1CHEK2
SCHEMBL257875 0.82 CA1 (0.47) ARMEN1KMT2AIDO1CHEK2
SCHEMBL875664 0.82 IDO1 (0.50) ARIDO1CHEK2PPARGPPARA
SCHEMBL29918384 0.82 IDO1 (0.50) ARIDO1CHEK2PPARGPPARA
SCHEMBL2396132 0.81 AR (0.51) ARIDO1CHEK2PPARGPPARA
SCHEMBL875870 0.81 AR (0.48) ARIDO1CHEK2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016180247-A1 BICYCLIC COMPOUND USED AS AN LP-PLA2 INHIBITOR, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 中国科学院上海药物研究所 2016-11-17 WO 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-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
EP-0356797-A2 Substituted pyridines, process for their preparation and their use in insecticides BAYER AG (DE) 1990-03-07 EP 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 AR 3517/4885MEN1 2428/4885KMT2A 4340/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885MEN1 2428/4885KMT2A 4340/4885

“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.