SCHEMBL9015652

SCHEMBL9015652

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
TRPA1 O75762 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
SLC15A2 Q16348 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
SCHEMBL9124544 0.87
SCHEMBL12410629 0.84 ALDH1A1 (0.30) ALDH1A1TDP1GAA
SCHEMBL243901 0.79 TSHR (0.43) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL2178900 0.79 HMGCR (0.52) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL10086138 0.78 GAA (0.34) ALDH1A1TDP1GAA
Acetic Acid SCHEMBL1695867 0.77 TSHR (0.42) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL9842065 0.77 LMNA (0.37) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL9768492 0.77 TSHR (0.42) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL13880069 0.77 ALDH1A1 (0.33) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL13544793 0.77 LMNA (0.38) ALDH1A1TDP1HMGCRCHRM1TBXA2R

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-3904367-A1 TETRAPEPTIDE COMPOUND, PREPARATION METHOD AND USE THEREOF Lanzhou University (CN) 2021-11-03 EP disclosed
US-20170216248-A1 Enhanced Erythropoiesis and Iron Metabolism FIBROGEN, INC. 2017-08-03 US disclosed
CN-103261402-B Local flavor is regulated by using the biological treatment of the bacterial isolates forming cream-style Nestle Products Technical Assistance Co.,Ltd. (CH) 2015-10-07 CN disclosed
US-20150080425-A1 METHODS FOR TREATING ANEMIA IN SUBJECTS HAVING KIDNEY FAILURE USING INHIBITORS OF HYPOXIA-INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. (US) 2015-03-19 US disclosed
CN-102037051-B Water-dilutable amines and their use SIKA TECHNOLOGY AG 2014-12-24 CN disclosed
CN-102066452-B Polyamine having reduced blushing effect, and use thereof as curing agent for epoxy resins SIKA TECHNOLOGY AG 2014-05-14 CN disclosed
US-20130245037-A1 Stabilization of Hypoxia Inducible Factor (HIF) Alpha FIBROGEN, INC. (US) 2013-09-19 US disclosed
US-20120282353-A1 METHODS, COMPOSITIONS AND ARTICLES OF MANUFACTURE FOR HIF MODULATING COMPOUNDS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2012-11-08 US disclosed
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
WO-2011033296-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-24 WO disclosed
WO-2010112942-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-10-07 WO disclosed
US-20090011051-A1 Methods, Compositions and Articles of Manufacture for HIF Modulating Compounds FRED HUTCHINSON CANCER RESEARCH CENTER 2009-01-08 US disclosed
US-5486451-A FORMING A DISPERSION OF SILVER HALIDE GRAINS IN THE PRESENCE OF A HYDROPHILIC COLLOID AND REMOVING BY-PRODUCTS BY LOWERING THE PH TO BRING ABOUT COAGULATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-23 US disclosed
EP-0645672-A1 Method for preparing silver halide photographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-29 EP disclosed
US-4082810-A STEREOSELECTIVE HYDROGENATING AGENTS ALDRICH-BORANES, INC. (US) 1978-04-04 US disclosed
US-3960762-A Production of absorbents BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (6 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-20150080425-A1 METHODS FOR TREATING ANEMIA IN SUBJECTS HAVING KIDNEY FAILURE USING INHIBITORS OF HYPOXIA-INDUCIBLE FACTOR (HIF) HYDROXYLASE HIF1AN, HIF1A, EGLN2 ALDH1A1 503/4885TDP1 4838/4885TRPA1 4829/4885
US-20130245037-A1 Stabilization of Hypoxia Inducible Factor (HIF) Alpha HIF1A, HIF1AN, EGLN2 ALDH1A1 282/4885TDP1 4354/4885TRPA1 4390/4885
US-20170216248-A1 Enhanced Erythropoiesis and Iron Metabolism EPOR, TFRC, HAMP ALDH1A1 875/4885TDP1 4815/4885TRPA1 4885/4885
US-20090011051-A1 Methods, Compositions and Articles of Manufacture for HIF Modulating Compounds HIF1A, HIF1AN, EGLN3 ALDH1A1 532/4885TDP1 4659/4885TRPA1 4037/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ALDH1A1 327/4885TDP1 3075/4885TRPA1 568/4885
US-20120282353-A1 METHODS, COMPOSITIONS AND ARTICLES OF MANUFACTURE FOR HIF MODULATING COMPOUNDS HIF1A, HIF1AN, EGLN3 ALDH1A1 532/4885TDP1 4659/4885TRPA1 4037/4885

“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.