SCHEMBL1035304

SCHEMBL1035304

CC(C)(C)C(=O)Oc1cccc(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 3/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SRC P12931 1/20 0.50
MEN1 O00255 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ELANE P08246 10/20 0.49
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
UNG P13051 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1083115 0.88 ELANE (0.46) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL413431 0.85 ELANE (0.47) ELANETDP1
SCHEMBL2094506 0.81 CYP3A4 (0.59) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL29456918 0.81 CYP3A4 (0.59) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL7992906 0.81 POLB (0.50) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL8577513 0.80 SRC (0.58) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL8579838 0.80 SRC (0.58) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL28004942 0.80 POLB (0.49) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL4641692 0.79 NPC1 (0.55) POLBALDH1A1NPC1KMT2ARAB9A
SCHEMBL528206 0.79 MAOA (0.48) POLBALDH1A1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC 2011-06-16 US disclosed
US-20110060012-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. 2011-03-10 US disclosed
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
EP-2276736-A1 4- [3- (ARYLOXY) BENZYLIDEN]-3-METHYL PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
EP-2276737-A1 4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
EP-2276738-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127943-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO disclosed
WO-2009127948-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO disclosed
US-5543295-A ENZYMATICALLY CLEAVABLE; ANALYZING TROPIX, INC. (US) 1996-08-06 US disclosed
US-5330900-A Chemiluminescent 3-(substituted adamant-2'-ylidene) 1,2-dioxetanes TROPIX, INC. (US) 1994-07-19 US disclosed
US-5326882-A High speed bioassay TROPIX, INC. (US) 1994-07-05 US disclosed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US disclosed
EP-0497972-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-08-12 EP disclosed
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP disclosed
US-5112960-A Enzyme cleavable 1,2-dioxetane compound APPLIED BIOSYSTEMS, LLC 1992-05-12 US disclosed
WO-1992004341-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-03-19 WO disclosed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP disclosed
WO-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 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 (4 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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 POLB 4294/4885ALDH1A1 141/4885NPC1 490/4885
US-20110060012-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 POLB 2931/4885ALDH1A1 433/4885NPC1 406/4885
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 POLB 3137/4885ALDH1A1 490/4885NPC1 362/4885
US-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, PAH POLB 1638/4885ALDH1A1 586/4885NPC1 2028/4885

“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.