SCHEMBL21840825

SCHEMBL21840825

O=C1c2ccccc2-c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 2/20 0.54
HTT P42858 1/20 0.54
PARG Q86W56 5/20 0.53
PKLR P30613 3/20 0.53
STAT3 P40763 1/20 0.53
BCL2 P10415 1/20 0.52
MCL1 Q07820 1/20 0.52
POLB P06746 1/20 0.49
TTR P02766 1/20 0.48
ELANE P08246 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL29518398 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL426122 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL29536345 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL28718485 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL7758423 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL305526 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
Water SCHEMBL2154885 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL2784888 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL11327335 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL28367626 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1

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-11591294-B2 Fluorenone/fluorenol derivatives for aqueous redox flow batteries BATTELLE MEMORIAL INSTITUTE (US) 2023-02-28 US disclosed
US-11512204-B2 Squarylium dye and composition containing same TOYO INK SC HOLDINGS CO., LTD. (JP) 2022-11-29 US disclosed
US-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES BATTELLE MEMORIAL INSTITUTE (US) 2021-05-20 US disclosed
US-20200115556-A1 SQUARYLIUM DYE AND COMPOSITION CONTAINING SAME TOYO INK SC HOLDINGS CO., LTD. (JP) 2020-04-16 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 (2 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-11591294-B2 Fluorenone/fluorenol derivatives for aqueous redox flow batteries NDUFV1, SCO2, NDUFS4 KMT2A 3857/4885SMN1; SMN2 3220/4885MEN1 2184/4885
US-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES NDUFV1, SCO2, NDUFS4 KMT2A 3857/4885SMN1; SMN2 3220/4885MEN1 2184/4885

“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.