SCHEMBL17061093

SCHEMBL17061093

CC(CC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)[O-].CC(CC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)[O-].[Mg+2]

nearest known ligand 0.73

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.73
▸ TYMS P04818 3/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ POLB P06746 1/20 0.73
▸ GAA P10253 1/20 0.73
▸ HPGD P15428 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ PTGS2 P35354 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.53
▸ DHFR P00374 5/20 0.52
▸ GART P22102 2/20 0.49
▸ ATIC P31939 1/20 0.49
▸ NOS1 P29475 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
SCHEMBL2273314 0.98 AKR1B1 (0.73) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL40319 0.94 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL16150298 0.94 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30185625 0.94 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL14323639 0.94 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL1804092 0.92 TYMS (0.70) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30174303 0.89 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.89 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28141926 0.89 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28226859 0.88 AKR1B1 (0.80) AKR1B1TYMSKDM4EMEN1ALDH1A1

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
US-9549937-B2 Composition containing phospholipid-DHA and folate Burvia, LLC. (US) 2017-01-24 — — US claimed
US-20150250806-A1 DIETARY SUPPLEMENT CONTAINING PHOSPHOLIPID-DHA AND FOLATE BURIVA LLC (US) 2015-09-10 — — US claimed
US-11116246-B2 Compositions of coenzyme Q10 and methods of use GM PHARMACEUTICALS, INC. (US) 2021-09-14 — — US disclosed
US-20190328022-A1 COMPOSITIONS OF COENZYME Q10 AND METHODS OF USE GM PHARMACEUTICALS, INC. 2019-10-31 — — 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 (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-20150250806-A1 DIETARY SUPPLEMENT CONTAINING PHOSPHOLIPID-DHA AND FOLATE PHOSPHO1, PLTP, FOLR2 AKR1B1 2000/4885TYMS 350/4885KDM4E 2687/4885

“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.

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