SCHEMBL432906

SCHEMBL432906

O=C(O)C1CC(C(=O)O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
EDNRA P25101 2/20 0.45
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
EDNRB P24530 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM1 Q13255 1/20 0.37
FFAR1 O14842 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL27481427 0.89 ALDH1A1 (0.42) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL8370418 0.85 ALDH1A1 (0.48) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL5970111 0.85 SLC6A2 (0.46) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL5969949 0.85 SLC6A2 (0.46) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL15335817 0.85 NOTUM (0.43) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL2470428 0.85 SLC6A2 (0.46) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL28373219 0.82 ALDH1A1 (0.44) ALDH1A1EDNRAAKR1C3AKR1C1MEN1
SCHEMBL29508339 0.82 ALDH1A1 (0.44) ALDH1A1EDNRAAKR1C3AKR1C1MEN1
SCHEMBL4960327 0.80 ALDH1A1 (0.39) ALDH1A1EDNRAAKR1C3AKR1C1EDNRB
SCHEMBL10145348 0.80 SLC6A2 (0.50) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076888-B2 Multi-layer materials and articles made therefrom and methods of making SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-09-18 US claimed
US-20180117871-A1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-05-03 US claimed
CN-107548352-A Multilayer material and the product being produced from it and manufacture method 沙特基础工业全球技术有限公司 2018-01-05 CN claimed
EP-3164266-A1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC Global Technologies B.V. (NL) 2017-05-10 EP claimed
WO-2016174577-A1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-11-03 WO claimed
EP-1565421-B1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PROD INC (US) 2008-07-23 EP claimed
US-7009073-B2 Method for preparing indan-1,3-dicarboxylic acid PFIZER INC (US) 2006-03-07 US claimed
US-20050240057-A1 Method for preparing indan-1,3-dicarboxylic acid PFIZER INC 2005-10-27 US claimed
EP-1565421-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID Pfizer Products Inc. (US) 2005-08-24 EP claimed
WO-2004046077-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PRODUCTS INC. (US) 2004-06-03 WO claimed
EP-3164266-B1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-05-29 EP disclosed
US-10076888-B2 Multi-layer materials and articles made therefrom and methods of making SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-09-18 US disclosed
EP-2333001-B1 COMPOSITIONS OF POLYESTERS WITH A HIGH GLASS TRANSITION TEMPERATURE WHICH COMPRISE 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL AND CERTAIN THERMAL STABILIZERS AND ARTICLES THEREOF EASTMAN CHEM CO (US) 2018-07-25 EP disclosed
US-10017606-B2 Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and moderate glass transition temperature and articles made therefrom EASTMAN CHEMICAL COMPANY (US) 2018-07-10 US disclosed
US-20180117871-A1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-05-03 US disclosed
EP-1565421-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID Pfizer Products Inc. (US) 2005-08-24 EP disclosed
EP-1565421-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID Pfizer Products Inc. (US) 2005-08-24 EP disclosed
WO-2004046077-A8 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PROD INC (US) 2005-05-19 WO disclosed
WO-2004046077-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PRODUCTS INC. (US) 2004-06-03 WO disclosed
WO-2004046077-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PRODUCTS INC. (US) 2004-06-03 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-20050240057-A1 Method for preparing indan-1,3-dicarboxylic acid DDC, IMPDH1, IDO1 ALDH1A1 223/4885EDNRA 2842/4885AKR1C3 1599/4885

“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.