SCHEMBL2115317

SCHEMBL2115317

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
TSHR P16473 6/20 0.35
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6675736 0.87 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL27376723 0.87 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL2115321 0.87 LDHA (0.36) TSHRLMNAALDH1A1TDP1
SCHEMBL304853 0.85 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL28225601 0.84 TDP1 (0.38) MGAMGAASIMGAM2LMNA
SCHEMBL123402 0.82 TDP1 (0.36) MGAMGAASIMGAM2LMNA
SCHEMBL29613361 0.82 TDP1 (0.36) MGAMGAASIMGAM2LMNA
SCHEMBL30773916 0.82 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL904451 0.81
SCHEMBL2475707 0.80 ALDH1A1 (0.38) TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MGAM 223/4885GAA 1295/4885SI 2840/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 MGAM 22/4885GAA 223/4885SI 1461/4885
US-20120095016-A1 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS GABRA5, GABRA6, GABRB1 MGAM 4785/4885GAA 1516/4885SI 3472/4885

“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.