SCHEMBL1047872

SCHEMBL1047872

ICc1coc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ABCB1 P08183 2/20 0.47
ABCC1 P33527 2/20 0.47
NOTUM Q6P988 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL5758598 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6ABCB1ABCC1
SCHEMBL5119297 0.81 HDAC1 (0.51) HDAC1HDAC8HDAC6ABCB1ABCC1
SCHEMBL4826786 0.81 DRD2 (0.54) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL5117052 0.79 HDAC1 (0.56) HDAC1HDAC8HDAC6ABCB1ABCC1
SCHEMBL1051719 0.76 NOTUM (0.51) NOTUMSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL14266177 0.75 SMN1; SMN2 (0.54) HDAC1HDAC8HDAC6ABCB1ABCC1
SCHEMBL1051422 0.75 HDAC1 (0.46) HDAC1HDAC8HDAC6NOTUM
SCHEMBL2223682 0.75 LMNA (0.52) HDAC1HDAC8HDAC6NOTUMSMN1; SMN2
SCHEMBL12744497 0.74 ENPP3 (0.54) HDAC1HDAC8HDAC6ABCB1ABCC1
SCHEMBL1049840 0.74 NOTUM (0.46) NOTUMALDH1A1HSD17B10KDM4ETP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872034-B2 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-18 US disclosed
CN-100439347-C 4- (3- (2-phenyloxazol-4-ylmethoxy) -cyclohexyloxy) -butyric acid derivatives and related compounds as PPAR modulators for the treatment of type 2 diabetes and atherosclerosis SANNOFFE AVENTIS PHARMA GMBH (DE) 2008-12-03 CN disclosed
US-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US disclosed
US-7335671-B2 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-26 US disclosed
CN-1753881-A 4-(3- (2-phenyl-oxazol-4-ylmethoxy)-cyclohexyloxy)-butane acid derivatives and related compounds as ppar modulators for treating diabetes of type 2 and atherosclerosis. SANNOFFE AVENTIS PHARMA GMBH (DE) 2006-03-29 CN disclosed
US-20040209920-A1 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-21 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 (2 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-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, FFAR1, FFAR2 HDAC1 4321/4885HDAC8 4153/4885HDAC6 4235/4885
US-20040209920-A1 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FFAR2 HDAC1 4194/4885HDAC8 4287/4885HDAC6 4128/4885

“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.