SCHEMBL12378816

SCHEMBL12378816

CCCC(Cc1ccccc1)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.56
MMP12 P39900 1/20 0.48
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CTSH P09668 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.41
SRR Q9GZT4 1/20 0.41

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
SCHEMBL2289952 1.00 CTSK (0.56) CTSKMMP12CTSLCTSBALDH1A1
SCHEMBL8204879 0.89 CTSK (0.53) CTSKMMP12CTSLCTSBALDH1A1
SCHEMBL1838075 0.88 CTSK (0.58) CTSKCTSLCTSBHDAC3HDAC4
SCHEMBL9370319 0.88 CTSK (0.58) CTSKCTSLCTSBHDAC3HDAC4
SCHEMBL27549298 0.88 CTSK (0.52) CTSKCTSLCTSBALDH1A1
SCHEMBL5945552 0.88 CTSK (0.52) CTSKCTSLCTSBALDH1A1
SCHEMBL8811765 0.87 MMP12 (0.48) CTSKMMP12CTSLCTSBALDH1A1
SCHEMBL11308906 0.86 CTSK (0.51) CTSKCTSLCTSBALDH1A1
SCHEMBL2292391 0.86 CTSK (0.56) CTSKMMP12CTSLCTSBALDH1A1
SCHEMBL3008826 0.86 CTSK (0.56) CTSKMMP12CTSLCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188589-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-06-07 EP disclosed
EP-4021629-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2022-07-06 EP disclosed
WO-2021037703-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-03-04 WO disclosed
US-10806683-B2 Encapsulated perfume compositions GIVAUDAN SA (CH) 2020-10-20 US disclosed
US-10722857-B2 Encapsulated perfume compositions GIVAUDAN S.A. (CH) 2020-07-28 US disclosed
US-10537868-B2 Microcapsules GIVAUDAN S.A. (CH) 2020-01-21 US disclosed
US-20180185808-A1 MICROCAPSULES GIVAUDAN SA (CH) 2018-07-05 US disclosed
US-20180177689-A1 IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS GIVAUDAN S.A. (CH) 2018-06-28 US disclosed
US-20180169603-A1 IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS GIVAUDAN S.A. (CH) 2018-06-21 US disclosed
US-8304223-B2 Isoforms of pig liver esterase ENZYMICALS AG (DE) 2012-11-06 US disclosed
US-8304223-B2 Isoforms of pig liver esterase ENZYMICALS AG (DE) 2012-11-06 US disclosed
US-20110207186-A1 Isoforms of Pig Liver Esterase ENZYMICALS AG (DE) 2011-08-25 US disclosed
US-20110207186-A1 Isoforms of Pig Liver Esterase ENZYMICALS AG (DE) 2011-08-25 US disclosed
WO-2008116745-A2 ISOFORMS OF PIG LIVER ESTERASE EVONIK DEGUSSA GMBH (DE) 2008-10-02 WO disclosed
US-7229817-B2 Recombinant porcine liver esterases, their use and a method for the production thereof DEGUSSA AG (DE) 2007-06-12 US disclosed
US-7229817-B2 Recombinant porcine liver esterases, their use and a method for the production thereof DEGUSSA AG (DE) 2007-06-12 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-20110207186-A1 Isoforms of Pig Liver Esterase CES1, PIGO, PIGS CTSK 1846/4885MMP12 3188/4885CTSL 1341/4885

“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.