SCHEMBL3950358

SCHEMBL3950358

O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.60
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 3/20 0.59
TP53 P04637 2/20 0.58
XBP1 P17861 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MRGPRX4 Q96LA9 4/20 0.57
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LTB4R Q15722 2/20 0.53
LTB4R2 Q9NPC1 2/20 0.53
CA2 P00918 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL29394534 1.00 PPARD (0.60) PPARDNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11470785 0.88 PPARD (0.58) PPARDNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10980236 0.88 NPC1 (0.57) PPARDNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL135156 0.88 HPGD (0.56) PPARDNPC1RAB9ASMN1; SMN2HPGD
Cyclohexylamine SCHEMBL11473152 0.87 PPARD (0.49) PPARDNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11462250 0.86 PPARD (0.57) PPARDNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6862797 0.86 PDK2 (0.67) PPARDNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10832407 0.86 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL3817639 0.86 FFAR4 (0.55) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL11462528 0.85 MRGPRX4 (0.62) PPARDNPC1RAB9ASMN1; SMN2HPGD

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 30 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-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-2005037283-A1 FUSED-ARYL AND HETEROARYL 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
EP-0178381-A2 Phenylacetamides as anti-allergy, anti-asthma and anti-inflammatory agents USV PHARMACEUTICAL CORPORATION (US) 1986-04-23 EP disclosed
US-4579866-A Phenylacetamides as anti-allergy, anti-asthma and anti-inflammatory agents USV PHARMACEUTICAL CORP. (US) 1986-04-01 US disclosed
US-4221919-A Antiinflammatory substituted phenylacetic acids SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1980-09-09 US 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-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use HTR3A, MAOA, FAAH PPARD 1251/4885NPC1 3061/4885RAB9A 3588/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A PPARD 1599/4885NPC1 3024/4885RAB9A 3827/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS PPARD 828/4885NPC1 2345/4885RAB9A 3302/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA PPARD 2698/4885NPC1 4020/4885RAB9A 2943/4885

“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.