SCHEMBL2115319

SCHEMBL2115319

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.36
SLC7A5 Q01650 2/20 0.35
HCAR2 Q8TDS4 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL27294721 0.86 TSHR (0.38) TP53TSHRSLC7A5HCAR2
SCHEMBL3073110 0.79 ALDH1A1 (0.38) TP53TSHRCYP2D6CYP2C19TDP1
SCHEMBL11588540 0.79 TP53 (0.40) TP53TSHRSLC7A5CYP2C19TDP1
Bicarbonate SCHEMBL28488934 0.76 TSHR (0.42) TP53TSHRSLC7A5HCAR2CYP2D6
SCHEMBL989972 0.75
SCHEMBL1196880 0.75 TP53 (0.42) TP53TSHRSLC7A5HCAR2GABRR1
SCHEMBL4332630 0.75
SCHEMBL28632671 0.75
SCHEMBL607461 0.75 TP53 (0.42) TP53TSHRSLC7A5HCAR2GABRR1
Lactic Acid SCHEMBL27395815 0.75 TP53 (0.69) TP53TSHRSLC7A5HCAR2RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 EP claimed
US-12612394-B2 Herbicidal malonamides BASF SE (DE) 2026-04-28 US disclosed
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 US disclosed
EP-4110763-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-01-04 EP disclosed
CN-115190875-A Herbicidal malonamides 巴斯夫欧洲公司 2022-10-14 CN disclosed
CN-110366549-A Compound as interleukin-1 activity inhibitor 基因泰克公司 2019-10-22 CN disclosed
EP-2627655-B1 FUSED 3-OXO-PYRAZOLO[4,3-c]PYRIDINE COMPOUNDS AS GABAA MODULATORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-09-16 EP disclosed
US-9012470-B2 Therapeutic 5,6,5-tricyclic analogs DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-04-21 US disclosed
EP-2627655-A2 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS Dart NeuroScience (Cayman) Ltd (KY) 2013-08-21 EP disclosed
US-20120095016-A1 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS HELICON THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
WO-2012051213-A2 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS HELICON THERAPEUTICS, INC. (US) 2012-04-19 WO disclosed
US-20060054290-A1 Novel catalytic activities of oxidoreductases for oxidation and or bleaching CALL HANS-PETER 2006-03-16 US disclosed
EP-1483442-A2 NOVEL CATALYTIC ACTIVITIES OF OXIDOREDUCTASES FOR OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-12-08 EP disclosed
EP-1436371-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-07-14 EP disclosed
WO-2003061550-A2 NOVEL CATALYTIC ACTIVITIES OF OXIDOREDUCTASES FOR OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2003-07-31 WO disclosed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO disclosed
EP-1012376-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS Blume, Hildegard (DE) 2000-06-28 EP disclosed
WO-1998059108-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS BLUME, HILDEGARD (DE) 1998-12-30 WO disclosed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 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 (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-12612394-B2 Herbicidal malonamides CBR3, DDT, HACL2 TP53 4695/4885TSHR 2236/4885SLC7A5 2281/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 TP53 4576/4885TSHR 1855/4885SLC7A5 1693/4885
US-20120095016-A1 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS GABRA5, GABRA6, GABRB1 TP53 4874/4885TSHR 451/4885SLC7A5 416/4885

“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.