SCHEMBL44516

SCHEMBL44516

O=C(c1ccccc1)C(O)(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
CYP1A2 P05177 1/20 0.50
SRC P12931 1/20 0.46
TSHR P16473 3/20 0.42
CES2 O00748 3/20 0.42
ALDH1A1 P00352 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
MAPK1 P28482 2/20 0.40
TRPA1 O75762 1/20 0.40
GSK3B P49841 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 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
SCHEMBL28993126 0.81 CYP1A2 (0.54) CES1CYP1A2SRCTSHRCES2
SCHEMBL2981609 0.80 CES1 (0.52) CES1CYP1A2SRCTSHRCES2
SCHEMBL71911 0.79 CYP1A2 (0.62) CES1CYP1A2TSHRALDH1A1HIF1A
SCHEMBL29614400 0.79 CYP1A2 (0.62) CES1CYP1A2TSHRALDH1A1HIF1A
SCHEMBL1922803 0.79 CYP1A2 (0.62) CES1CYP1A2TSHRALDH1A1HIF1A
SCHEMBL14645587 0.79 CES1 (0.56) CES1CYP1A2SRCTSHRCES2
SCHEMBL8445440 0.79 CES1 (0.56) CES1CYP1A2SRCTSHRCES2
SCHEMBL669851 0.79 CES1 (0.61) CES1SRCTSHRCES2ALDH1A1
SCHEMBL6765146 0.78 CES1 (0.45) CES1CYP1A2SRCTSHRCES2
SCHEMBL6765147 0.78 CYP1A2 (0.45) CES1CYP1A2TSHRHIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666138-A A kind of preparation method of fatty poly-ester carbonate 中国科学院长春应用化学研究所 2019-04-23 CN claimed
CN-106279046-A A kind of acetyl hydrazone compounds and preparation method thereof 六盘水师范学院 2017-01-04 CN claimed
CN-105503774-A Preparation method of tianeptine sodium intermediate JINAN CHENGHUI SHUANGDA CHEMICAL CO LTD 2016-04-20 CN claimed
US-8415312-B2 Compound which is a nystatin derivative BIOSERGEN AS (NO) 2013-04-09 US claimed
US-20090074746-A1 Compounds to treat alzheimer's disease ALZHEIMER'S COLLABORATION 2009-03-19 US claimed
EP-1951723-A1 THE APPLICATION USING NON-COVALENT BOND BETWEEN A CUCURBITURIL DERIVATIVE AND A LIGAND Postech Academy-Industry Foundation (KR) 2008-08-06 EP claimed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
WO-2007046575-A1 THE APPLICATION USING NON-COVALENT BOND BETWEEN A CUCURBITURIL DERIVATIVE AND A LIGAND POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2007-04-26 WO claimed
EP-1666452-A2 Compounds to treat Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2002002505-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002520-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002518-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-0788314-B1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL PROCTER & GAMBLE (US) 2001-09-12 EP claimed
US-6090965-A Removal of dissolved silicates from alcohol-silicon direct synthesis solvents OSI SPECIALTIES, INC. (US) 2000-07-18 US claimed
EP-0947521-A2 Removal of dissolved silicates from alcohol-silicon direct synthesis solvents WITCO CORPORATION (US) 1999-10-06 EP claimed
EP-0788314-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL THE PROCTER & GAMBLE COMPANY (US) 1997-08-13 EP claimed
US-5480667-A CONTAING NONDIGESTIBLE SOLID POLYOL ESTERS OF SPECIFIED CARBON CHAIN LENGTH FATTY ACID DISPERSED IN LIQUID NONDIGESTIBLE OIL; POTATO CHIPS CORRIGAN PATRICK J (US) 1996-01-02 US claimed
WO-1994009639-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO claimed
US-4561493-A Heat-storing apparatus HITACHI, LTD. (JP) 1985-12-31 US 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 (2 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CES1 1671/4885CYP1A2 823/4885SRC 3440/4885
US-20090074746-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT CES1 1671/4885CYP1A2 823/4885SRC 3440/4885

“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.