SCHEMBL19449186

SCHEMBL19449186

CC1=C(CO)C(=O)c2c(ccc(O)c2O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ MAOA P21397 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ APEX1 P27695 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ THRB P10828 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ RAF1 P04049 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CSNK2A2 P19784 1/20 0.53
▸ BRCA1 P38398 1/20 0.53

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
SCHEMBL20033360 0.87 ELANE (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
Dioncoquinone B SCHEMBL3401149 0.79 MEN1 (0.60) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2772226 0.75 MAPT (0.86) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19452222 0.75 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6904748 0.73 MAPT (0.83) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29359549 0.73 ELANE (0.70) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30432375 0.73 ELANE (0.70) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10909836 0.73 ELANE (0.70) MAPTMEN1KMT2AALDH1A1KDM4E
Athraquinones A SCHEMBL4249545 0.71 MAPT (0.83) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10446741 0.71 MAPT (0.59) MAPTALDH1A1KDM4EMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291916-A1 COORDINATION COMPOUNDS HAVING REDOX NON-INNOCENT LIGANDS AND FLOW BATTERIES CONTAINING THE SAME LOCKHEED MARTIN ENERGY, LLC 2017-10-12 — — 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-20170291916-A1 COORDINATION COMPOUNDS HAVING REDOX NON-INNOCENT LIGANDS AND FLOW BATTERIES CONTAINING THE SAME NQO1, VDAC1, SQOR MAPT 2504/4885MEN1 1349/4885KMT2A 2652/4885

“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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