SCHEMBL44517

SCHEMBL44517

O=C(c1ccccc1Cl)C(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
CES2 O00748 2/20 0.57
CES1 P23141 2/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 3/20 0.47
SMO Q99835 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MAPT P10636 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
SRC P12931 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3454583 0.87 TSHR (0.56) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL27896734 0.86 LMNA (0.50) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL10444710 0.86 CES2 (0.46) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL8799601 0.86 LMNA (0.50) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL27913742 0.84 CES2 (0.49) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL28154416 0.84 LMNA (0.49) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL8799603 0.83 FABP3 (0.49) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL17956727 0.82 ALDH1A1 (0.55) LMNACES2CES1ALDH1A1MAPK1
SCHEMBL10814062 0.82 ALDH1A1 (0.59) LMNACES2CES1ALDH1A1NPC1
SCHEMBL7084137 0.82 RAB9A (0.48) LMNACES2CES1ALDH1A1NPC1

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 957 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 LMNA 2675/4885CES2 548/4885CES1 1671/4885
US-20090074746-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT LMNA 2675/4885CES2 548/4885CES1 1671/4885

“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.