SCHEMBL3961295

SCHEMBL3961295

O=C(O)Cc1ccc(OCCc2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.59
LTB4R Q15722 4/20 0.52
LTB4R2 Q9NPC1 4/20 0.52
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
LMNA P02545 2/20 0.51
NR4A2 P43354 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLA2G4B P0C869 1/20 0.51
LTA4H P09960 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TBXAS1 P24557 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL11596764 0.93 NR4A2 (0.54) FFAR1LTB4RLTB4R2LMNANR4A2
SCHEMBL3334872 0.88 FFAR1 (0.76) FFAR1LTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL2848927 0.85 MAOB (0.53) FFAR1LMNASMN1; SMN2TBXAS1
SCHEMBL3961013 0.85 FFAR1 (0.59) FFAR1LTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL3500162 0.85 NR4A2 (0.71) FFAR1NR4A2
SCHEMBL11683055 0.84 PLA2G4B (0.61) FFAR1LTB4RLTB4R2LMNAL3MBTL1
SCHEMBL15079869 0.84 MAOB (0.58) FFAR1L3MBTL1LTA4H
SCHEMBL14967365 0.83 NR4A2 (0.73) FFAR1CYP4F2CYP4A11LMNANR4A2
SCHEMBL3500048 0.82 SRD5A2 (0.62) FFAR1LMNANR4A2LTA4HEPHX2
SCHEMBL11684213 0.82 PLA2G4B (0.69) FFAR1LTB4RLTB4R2LMNAPLA2G4B

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-7550485-B2 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7524846-B2 Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2009-04-28 US disclosed
US-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-7419980-B2 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2008-09-02 US disclosed
US-7402698-B2 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2008-07-22 US disclosed
EP-1673084-B1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS WYETH CORP (US) 2008-07-09 EP disclosed
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 US disclosed
US-7365076-B2 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2008-04-29 US disclosed
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2005-09-01 US disclosed
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2005-08-25 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 US disclosed
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2005-07-07 US disclosed
US-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037279-A1 1- 2’ (1, 4’-BIPERIDIN-1’-YL)-1- (PHENYL) -ETHYL CYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VISOMOTOR SYMPTOMS WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 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 (7 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-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use HTR3A, MAOA, FAAH FFAR1 177/4885LTB4R 415/4885LTB4R2 301/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A FFAR1 301/4885LTB4R 584/4885LTB4R2 358/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS FFAR1 108/4885LTB4R 406/4885LTB4R2 331/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA FFAR1 153/4885LTB4R 471/4885LTB4R2 358/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA FFAR1 834/4885LTB4R 471/4885LTB4R2 418/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA FFAR1 834/4885LTB4R 471/4885LTB4R2 418/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A FFAR1 484/4885LTB4R 638/4885LTB4R2 499/4885

“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.