SCHEMBL4122499

SCHEMBL4122499

CC1=C(CC(N)C(=O)OC(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HTT P42858 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
APAF1 O14727 1/20 0.46
MITF O75030 1/20 0.46
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
PKM P14618 4/20 0.40
ALOX12 P18054 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL4034341 0.92 PTPRC (0.41) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL4111856 0.80 MAOA (0.43) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL4105354 0.77 MEN1 (0.43) MAPTALDH1A1LMNAHTTL3MBTL1
SCHEMBL4210830 0.77 MAPT (0.50) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL314142 0.75 SLC7A5 (0.58) MAPTTDP1POLBPKMPTGS1
SCHEMBL594132 0.75 SLC7A5 (0.58) MAPTTDP1POLBPKMPTGS1
SCHEMBL1221379 0.75 SLC7A5 (0.58) MAPTTDP1POLBPKMPTGS1
Hypochlorous Acid SCHEMBL4115442 0.75 MAPT (0.48) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL4200420 0.75 MAPT (0.48) MAPTALDH1A1LMNAKDM4EHTT
Hypochlorous Acid SCHEMBL4116052 0.75 MAPT (0.48) MAPTALDH1A1LMNAKDM4EHTT

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 MAPT 3602/4885ALDH1A1 709/4885LMNA 173/4885

“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.