SCHEMBL11401546

SCHEMBL11401546

O=C(CCOc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX5 P09917 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
FFAR1 O14842 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL16672454 0.92 TDP1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1TSHR
SCHEMBL3167627 0.89 LTA4H (0.50) ALDH1A1MAPK1L3MBTL1TDP1POLB
SCHEMBL5689482 0.88 ALDH1A1 (0.67) ALDH1A1TSHRPOLBTP53MEN1
SCHEMBL20022968 0.83 TSHR (0.53) ALDH1A1MAPK1L3MBTL1TDP1TSHR
SCHEMBL1177836 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1POLB
SCHEMBL1396777 0.82 ALDH1A1 (0.64) ALDH1A1L3MBTL1TDP1TSHRRECQL
SCHEMBL1855116 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1TSHR
SCHEMBL17084551 0.82 TDP1 (0.67) ALDH1A1MAPK1L3MBTL1TDP1TSHR
SCHEMBL8681578 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1POLB
SCHEMBL30610377 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55133304-A None JP disclosed
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20180022853-A1 METHOD FOR PRODUCING AN ABLATIVE RESIN ARIANEGROUP SAS (FR) 2018-01-25 US disclosed
US-20180009928-A1 METHOD FOR PRODUCING AN ABLATIVE RESIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-01-11 US disclosed
CN-107531653-A Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2018-01-02 CN disclosed
CN-107207421-A New trifluoromethyl propanamide derivative 豪夫迈·罗氏有限公司 2017-09-26 CN disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
JP-S55133304-A PERFUME CONTROLLER SHISEIDO CO LTD 1980-10-17 JP 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 1423/4885MAPK1 4216/4885L3MBTL1 3877/4885

“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.