SCHEMBL1419611

SCHEMBL1419611

COC(=O)CCC(CC(C)C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.50
TSHR P16473 3/20 0.44
MME P08473 2/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
FOLH1 Q04609 1/20 0.38
KISS1R Q969F8 1/20 0.37
BIRC2 Q13490 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16388417 0.86 TSHR (0.55) SLC1A1TSHRCA1CA2CA12
SCHEMBL3275556 0.85 MME (0.47) MMECA1CA2FOLH1
SCHEMBL1419634 0.85 MME (0.47) MMECA1CA2FOLH1
SCHEMBL3273833 0.85 MME (0.47) MMECA1CA2FOLH1
SCHEMBL19483366 0.83 SLC1A1 (0.49) SLC1A1TSHRMMECA12CA14
SCHEMBL19483395 0.83 SLC1A1 (0.49) SLC1A1TSHRMMECA12CA14
SCHEMBL28741676 0.83 CA1 (0.52) SLC1A1TSHRCA1CA2CA12
SCHEMBL2979680 0.81 MME (0.53) MMECA1CA2CA14FOLH1
SCHEMBL526220 0.80 SLC1A1 (0.49) SLC1A1TSHRCA1CA2CA12
SCHEMBL9509840 0.80 CA1 (0.62) SLC1A1TSHRCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483317-A The preparation method and application of high-purity 3- isobutylglutaric acid dimethyl ester HUANGGANG LUBAN PHARMACEUTICAL CO LTD 2019-11-22 CN disclosed
EP-2297090-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER Teva Pharmaceutical Industries Ltd. (IL) 2011-03-23 EP disclosed
US-20100087525-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-04-08 US disclosed
WO-2009158343-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-12-30 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 (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-20100087525-A1 STEREOSELECTIVE ENZYMATIC SYNTHESIS OF (S) OR (R)-ISO-BUTYL-GLUTARIC ESTER COASY, HSD17B12, GABRB2 SLC1A1 487/4885TSHR 3764/4885MME 851/4885

“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.