SCHEMBL233057

SCHEMBL233057

CC(=O)CC(C(C)=O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
TRPA1 O75762 1/20 0.37
LMNA P02545 2/20 0.32
SLC15A2 Q16348 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL15455713 0.97 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL4342888 0.97 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL11309347 0.88 TDP1 (0.48) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL11848040 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TRPA1
SCHEMBL24834180 0.81 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL2010639 0.80 TDP1 (0.53) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL11848055 0.79 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL25457592 0.79 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL517199 0.78 SLC22A6 (0.45) ALDH1A1TDP1LMNASLC15A2
SCHEMBL15658158 0.77 ALDH1A1 (0.39) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408730-B1 PROCESS FOR THE CATALYTIC HALOGENATION OF A DIOL AKZO NOBEL NV (NL) 2015-07-01 EP claimed
US-8558021-B2 Process for the catalytic halogenation of a diol AKZO NOBEL N.V. (NL) 2013-10-15 US claimed
US-20120004432-A1 PROCESS FOR THE CATALYTIC HALOGENATION OF A DIOL AKZO NOBEL N.V. (NL) 2012-01-05 US claimed
EP-3206720-B1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2020-04-22 EP disclosed
EP-3206720-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GmbH (DE) 2017-08-23 EP disclosed
WO-2016058704-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2016-04-21 WO disclosed
EP-2763944-B1 PROCESS FOR THE CHLORINATION OF A HYDROXYLATED ORGANIC COMPOUND AKZO NOBEL CHEMICALS INT BV (NL) 2015-12-16 EP disclosed
EP-2408730-B1 PROCESS FOR THE CATALYTIC HALOGENATION OF A DIOL AKZO NOBEL NV (NL) 2015-07-01 EP disclosed
US-9006498-B2 Process for the chlorination of a hydroxylated organic compound AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-04-14 US disclosed
US-20140371492-A1 PROCESS FOR THE CHLORINATION OF A HYDROXYLATED ORGANIC COMPOUND AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2014-12-18 US disclosed
US-8759348-B2 Use of 4-(pyrrolidin-1-yl)quinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2014-06-24 US disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
US-20090030099-A1 FOAM COMPOSITION AND FOAM THE YOKOHAMA RUBBER CO., LTD. (JP) 2009-01-29 US disclosed
WO-2008130721-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-10-30 WO disclosed
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
CN-1114431-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS (JP) 1996-01-03 CN disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP 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-20100160392-A1 HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 ALDH1A1 2757/4885TDP1 3241/4885TRPA1 4225/4885

“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.