SCHEMBL3334872

SCHEMBL3334872

O=C(O)Cc1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.76
LTB4R Q15722 2/20 0.64
LTB4R2 Q9NPC1 2/20 0.64
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
AKR1B1 P15121 1/20 0.59
FFAR4 Q5NUL3 1/20 0.57
LTA4H P09960 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 1/20 0.55
PPARG P37231 1/20 0.54
ALOX15 P16050 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53

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
SCHEMBL3961295 0.88 FFAR1 (0.59) FFAR1LTB4RLTB4R2LTA4HPPARG
SCHEMBL9826020 0.87 FFAR1 (0.67) FFAR1LTB4RLTB4R2NPC1RAB9A
SCHEMBL3961013 0.87 FFAR1 (0.59) FFAR1LTB4RLTB4R2NPC1RAB9A
SCHEMBL1745370 0.86 FFAR1 (1.00) FFAR1AKR1B1FFAR4S1PR1S1PR3
SCHEMBL8767652 0.86 LTB4R (0.63) FFAR1LTB4RLTB4R2AKR1B1LTA4H
SCHEMBL9517972 0.86 LTB4R (0.63) FFAR1LTB4RLTB4R2AKR1B1PPARG
SCHEMBL11683055 0.85 PLA2G4B (0.61) FFAR1LTB4RLTB4R2AKR1B1CA2
SCHEMBL9207200 0.85 FFAR1 (0.59) FFAR1LTB4RLTB4R2NPC1RAB9A
SCHEMBL12687872 0.84 HDAC6 (0.66) FFAR1NPC1RAB9ALTA4H
SCHEMBL3335445 0.84 FFAR1 (0.63) FFAR1LTB4RLTB4R2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
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
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 WO disclosed
US-7419980-B2 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2008-09-02 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-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-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 FFAR1 326/4885LTB4R 1215/4885LTB4R2 763/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A FFAR1 301/4885LTB4R 584/4885LTB4R2 358/4885
US-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.