SCHEMBL1645843

SCHEMBL1645843

CC(=O)c1ccc(C(=O)OCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ESR1 P03372 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A2 P23975 1/20 0.52
KDR P35968 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL25925820 0.98 ESR1 (0.50) TSHRESR1TDP1ALDH1A1CHRM1
Acetone SCHEMBL28904622 0.92 TSHR (0.55) TSHRESR1TDP1ALDH1A1CHRM1
SCHEMBL15395914 0.90 ESR1 (0.57) TSHRESR1TDP1ALDH1A1CHRM1
SCHEMBL26378 0.89 TDP1 (0.56) TSHRESR1TDP1ALDH1A1CHRM1
SCHEMBL19235060 0.87 TDP1 (0.54) TSHRESR1TDP1ALDH1A1CHRM1
SCHEMBL13292517 0.87 TDP1 (0.54) TSHRESR1TDP1ALDH1A1CHRM1
Lithium SCHEMBL30805733 0.87 TDP1 (0.54) TSHRESR1TDP1ALDH1A1CHRM1
SCHEMBL26453328 0.87 TDP1 (0.54) TSHRESR1TDP1ALDH1A1CHRM1
Ethylene Glycol SCHEMBL28198373 0.87 TDP1 (0.54) TSHRESR1TDP1ALDH1A1CHRM1
SCHEMBL14297476 0.87 TDP1 (0.56) TSHRESR1TDP1ALDH1A1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9797071-B2 Polyester yarn and production method thereof KOLON INDUSTRIES, INC. (KR) 2017-10-24 US disclosed
WO-2016061503-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-04-21 WO disclosed
US-20160108207-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-04-21 US disclosed
US-9315922-B2 Polyester-based fiber for artificial hair and hair ornament product including the same KANEKA CORPORATION (JP) 2016-04-19 US disclosed
US-9068056-B2 Method for forming composite materials CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2015-06-30 US disclosed
US-20150141559-A1 POLYESTER-BASED FIBER FOR ARTIFICIAL HAIR AND HAIR ORNAMENT PRODUCT INCLUDING THE SAME KANEKA CORPORATION (JP) 2015-05-21 US disclosed
US-20130267139-A1 POLYESTER YARN AND PRODUCTION METHOD THEREOF KOLON INDUSTRIES, INC. (KR) 2013-10-10 US disclosed
WO-2013144933-A2 POLYESTER BINDER MATERIAL FOR COATING COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2013-10-03 WO disclosed
US-20120088419-A1 POLYESTER THREAD FOR AN AIR BAG AND PREPARATION METHOD THEREOF KOLON INDUSTRIES, INC. (KR) 2012-04-12 US disclosed
US-20110288219-A1 METHOD FOR FORMING COMPOSITE MATERIALS CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2011-11-24 US disclosed
US-7455954-B2 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORPORATION (JP) 2008-11-25 US disclosed
US-7445641-B1 Biomaterials modified with superoxide dismutase mimics PHARMACIA CORPORATION (US) 2008-11-04 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 (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-20160108207-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT TSHR 3903/4885ESR1 2252/4885TDP1 1293/4885

“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.