SCHEMBL911043

SCHEMBL911043

O=CCCc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MPO P05164 5/20 0.52
TSHR P16473 2/20 0.50
HSPA5 P11021 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A4 P31645 1/20 0.48
AKR1B1 P15121 1/20 0.48
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
IDO1 P14902 2/20 0.47
MGLL Q99685 1/20 0.44
HTR1A P08908 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1305008 0.88 MPO (0.55) TAAR1MPOTSHRHSPA5CYP2D6
SCHEMBL23709301 0.86 MPO (0.53) TAAR1MPOTSHRHSPA5CYP2D6
SCHEMBL10986621 0.84 MGLL (0.56) TAAR1MPOTSHRCYP2D6HIF1A
SCHEMBL28607303 0.84 ADH1B (0.36) TAAR1MPOTSHRHSPA5CYP2D6
SCHEMBL31011262 0.83 IAPP (0.55) TAAR1TSHRHSPA5CYP2D6HIF1A
SCHEMBL1685074 0.83 CYP4F2 (0.44) TAAR1MPOTSHRCYP2D6SLC6A4
SCHEMBL7294135 0.79 MPO (0.49) TAAR1MPOTSHRHSPA5CYP2D6
SCHEMBL5543573 0.78 TAAR1 (0.54) TAAR1MPOTSHRHSPA5CYP2D6
SCHEMBL11780321 0.78 TAAR1 (0.54) TAAR1MPOTSHRHSPA5CYP2D6
SCHEMBL1222973 0.78 TAAR1 (0.71) TAAR1MPOTSHRHSPA5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874472-A Compounds, compositions and methods for utilizing non-coking coal 塔塔钢铁有限公司 2021-12-31 CN claimed
CN-104508116-A Pesticidal flavobacterium strains and bioactive compositions, metabolites and uses MARRONE BIO INNOVATIONS INC 2015-04-08 CN claimed
EP-2847318-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES Marrone Bio Innovations, Inc. (US) 2015-03-18 EP claimed
US-20150031534-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES PRO FARM GROUP, INC. 2015-01-29 US claimed
WO-2013138398-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES MARRONE BIO INNOVATIONS, INC. (US) 2013-09-19 WO claimed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US claimed
EP-1711523-A4 ANALOGUES OF GLP-1 SOD CONSEILS RECH APPLIC (FR) 2008-05-21 EP claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US claimed
US-20070042952-A1 Analogues of glp-1 IPSEN PHARMA S.A.S. (FR) 2007-02-22 US claimed
EP-1711523-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2006-10-18 EP claimed
US-5725617-A Abrasive articles with encapsulated lubricant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
EP-0784528-A1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-23 EP claimed
EP-0463603-B1 Improved drying with improved physical performance of photographic films STERLING DIAGNOSTIC IMAGING (US) 1996-10-16 EP claimed
WO-1996011085-A1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-18 WO claimed
EP-0568819-B1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF AG (DE) 1996-01-03 EP claimed
US-5304685-A Preparation of 3-(hydroxyphenyl)propionaldehydes and their hydrogenation to 3-(hydroxyphenyl)propanols BASF AKTIENGESELLSCHAFT (DE) 1994-04-19 US claimed
EP-0568819-A1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF Aktiengesellschaft (DE) 1993-11-10 EP claimed
EP-0296592-B1 AMINOPROPANOL DERIVATIVES OF 3-(2-HYDROXYPHENYL)-1-PROPANONE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Helopharm W. Petrik GmbH & Co.KG. (DE) 1992-02-12 EP claimed
EP-0296592-A2 Aminopropanol derivatives of 3-(2-hydroxyphenyl)-1-propanone, process for their preparation and medicines containing these compounds Helopharm W. Petrik GmbH & Co.KG. (DE) 1988-12-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 TAAR1 3447/4885MPO 4431/4885TSHR 3040/4885
US-20070042952-A1 Analogues of glp-1 GLP1R, IAPP, GIPR TAAR1 3616/4885MPO 2506/4885TSHR 117/4885
US-20150031534-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES BLVRB, PRDX6, ACHE TAAR1 1632/4885MPO 397/4885TSHR 1805/4885

“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.