SCHEMBL4242567

SCHEMBL4242567

CCC(OC(C)=O)c1ccc(OC(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ESR1 P03372 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP19A1 P11511 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
ABCB11 O95342 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
STAT6 P42226 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ELANE P08246 2/20 0.43

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
SCHEMBL29034762 0.86 AKR1C3 (0.45) LMNAPKMALDH1A1KMT2AFAAH
SCHEMBL14028741 0.82 ESR1 (0.48) LMNAESR1MAPTSLC6A3CYP3A4
Hydrochloric Acid SCHEMBL2528523 0.81 LMNA (0.43) LMNAESR1HIF1ACYP19A1MAPT
SCHEMBL14547167 0.81 SIGMAR1 (0.46) LMNACYP19A1ALDH1A1SMN1; SMN2FAAH
SCHEMBL4386993 0.81 SIGMAR1 (0.46) LMNACYP19A1ALDH1A1SMN1; SMN2FAAH
SCHEMBL9699736 0.80 LMNA (0.53) LMNAESR1HIF1ACYP19A1MAPT
SCHEMBL2246272 0.80 ESR1 (0.71) LMNAESR1HIF1ACYP19A1MAPT
SCHEMBL9608808 0.80 PABPC1 (0.55) LMNAPOLBCYP3A4TSHRHSD17B10
SCHEMBL31356495 0.80 ESR1 (0.71) LMNAESR1HIF1ACYP19A1MAPT
SCHEMBL2294116 0.80 PABPC1 (0.55) LMNAPOLBCYP3A4TSHRHSD17B10

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
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
WO-2009065239-A1 COMPOSITIONS AND THEIR USE GIVAUDAN SA (CH) 2009-05-28 WO disclosed
WO-2009065239-A1 COMPOSITIONS AND THEIR USE GIVAUDAN SA (CH) 2009-05-28 WO disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 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 (3 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 LMNA 4834/4885ESR1 4327/4885HIF1A 2575/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 LMNA 4834/4885ESR1 4327/4885HIF1A 2575/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 LMNA 4834/4885ESR1 4327/4885HIF1A 2575/4885

“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.