SCHEMBL813624

SCHEMBL813624

Cc1ccc(C(C[N+](=O)[O-])C(C)(C)C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 6/20 0.43
HSP90AA1 P07900 3/20 0.43
MAPK1 P28482 1/20 0.43
AGTR1 P30556 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
CNR1 P21554 2/20 0.38
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.35

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
SCHEMBL809532 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHSP90AA1MAPK1AGTR1
SCHEMBL809493 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHSP90AA1MAPK1AGTR1
SCHEMBL1319211 0.86 ALDH1A1 (0.38) ALDH1A1MAPTHSP90AA1MAPK1AGTR1
SCHEMBL27165026 0.86 ALDH1A1 (0.37) ALDH1A1MAPTTDP1HPGDSMN1; SMN2
SCHEMBL27204537 0.86 ALDH1A1 (0.37) ALDH1A1MAPTTDP1HPGDSMN1; SMN2
SCHEMBL1319209 0.86 ALDH1A1 (0.38) ALDH1A1MAPTHSP90AA1MAPK1AGTR1
SCHEMBL27165050 0.86 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1HPGDSMN1; SMN2
SCHEMBL27165030 0.86 ALDH1A1 (0.38) ALDH1A1MAPTHSP90AA1MAPK1AGTR1
SCHEMBL27165110 0.86 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1HPGDSMN1; SMN2
SCHEMBL809461 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, (KR) 2024-03-07 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 ALDH1A1 1287/4885MAPT 4442/4885HSP90AA1 4561/4885
US-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS PNMT, TNNC1, IDO1 ALDH1A1 2401/4885MAPT 3216/4885HSP90AA1 4579/4885

“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.