SCHEMBL3296206

SCHEMBL3296206

CC(C)(C)OC(=O)C(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SYK P43405 1/20 0.48
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
DGAT1 O75907 1/20 0.44
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL991531 0.91 ALDH1A1 (0.62) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL25953192 0.85 MMP8 (0.55) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL991532 0.84 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL27696911 0.84 ALDH1A1 (0.50) ALDH1A1SYKKMT2ATDP1L3MBTL1
SCHEMBL27827638 0.84 ALDH1A1 (0.50) ALDH1A1SYKKMT2ATDP1L3MBTL1
SCHEMBL991818 0.83 ALDH1A1 (0.53) ALDH1A1SYKKMT2ATDP1L3MBTL1
SCHEMBL993585 0.83 ALDH1A1 (0.53) ALDH1A1SYKKMT2ATDP1L3MBTL1
SCHEMBL1680118 0.83 ALDH1A1 (0.56) ALDH1A1SYKKMT2ATDP1L3MBTL1
SCHEMBL5395231 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL29230598 0.82 SYK (0.51) ALDH1A1SYKKMT2ASMN1; SMN2MEN1

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-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 CN disclosed
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS ALDH1A1 835/4885SYK 2693/4885KMT2A 3159/4885

“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.