SCHEMBL4069726

SCHEMBL4069726

O=C(Cl)Oc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 3/20 0.41
NFKB1 P19838 1/20 0.41
NOTUM Q6P988 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MCL1 Q07820 1/20 0.37
STK39 Q9UEW8 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5272098 0.84 PPARG (0.49) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL30116328 0.84 PPARG (0.49) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL6967623 0.82 PPARG (0.47) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL667777 0.82 PPARG (0.51) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL10794557 0.82 TDP1 (0.40) LMNAGAAATMTDP1BCHE
SCHEMBL18697298 0.82 PPARG (0.47) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL1577432 0.81 PTGS2 (0.52) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL17593430 0.81 RXRA (0.50) PPARGRXRARXRBRXRGMRGPRX4
SCHEMBL4254573 0.81 TDP1 (0.46) RXRARXRBRXRGGAAATM
SCHEMBL2884826 0.81 TDP1 (0.58) RXRARXRBRXRGGAAATM

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
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP disclosed
EP-2035435-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2009-03-18 EP disclosed
EP-2024380-A2 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS Adenosine Therapeutics, LLC (US) 2009-02-18 EP disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO disclosed
WO-2007136817-A2 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC (US) 2007-11-29 WO disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
EP-0404876-A4 LONG-CHAIN ALIPHATIC HYDROCARBYL AMINE ADDITIVES HAVING AN OXY-CARBONYL CONNECTING GROUP 1991-04-24 EP disclosed
EP-0404876-A1 LONG-CHAIN ALIPHATIC HYDROCARBYL AMINE ADDITIVES HAVING AN OXY-CARBONYL CONNECTING GROUP. CHEVRON RES (US) 1991-01-02 EP disclosed
WO-1990002785-A1 LONG-CHAIN ALIPHATIC HYDROCARBYL AMINE ADDITIVES HAVING AN OXY-CARBONYL CONNECTING GROUP CHEVRON RESEARCH COMPANY (US) 1990-03-22 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 (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-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 PPARG 2157/4885RXRA 2410/4885RXRB 2845/4885

“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.