SCHEMBL3973849

SCHEMBL3973849

COc1cc(OC)cc(-c2nc(CI)c(C)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 3/20 0.44
MAPT P10636 4/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1047010 0.85 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2TP53NFKB1
SCHEMBL5025952 0.84 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2TP53NFKB1
SCHEMBL1049550 0.84 TARBP2 (0.53) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL1435871 0.82 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TP53NFKB1
SCHEMBL27621046 0.80 NOTUM (0.42) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL3294077 0.78 POLB (0.55) ALDH1A1HPGDHSD17B10KDM4EMAPT
Anisaldehyde SCHEMBL4253513 0.76 LMNA (0.50) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL1051303 0.74 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL1047012 0.73 KDM4E (0.64) HPGDTP53KDM4EPPARGPPARD
SCHEMBL1048006 0.73 TP53 (0.49) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
US-7365084-B2 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US disclosed
EP-1599453-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-29 US disclosed
WO-2004076426-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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 (1 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-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals DNPEP, DDC, AADAT ALDH1A1 3240/4885HPGD 2813/4885SMN1; SMN2 3984/4885

“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.