SCHEMBL3035753

SCHEMBL3035753

CC(C)(C)C(O[C]=O)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3697952 0.77 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL3325090 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL1666369 0.76 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL888327 0.76 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL10178321 0.76 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL1665948 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL30111358 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL10178099 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL1665793 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL3326982 0.75 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1MAPT

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-6310083-B1 DERIVATIVES OF O-NITROMANDELYOXYCARBONYL WHICH ARE CAPABLE OF RELEASING AMINO ACIDS (OR DERIVATIVES THEREOF) UPON IRRADIATION WITH ULTRAVIOLET LIGHT; PRODUCING AMINO ACIDS (OR DERIVATIVES THEREOF) FOR USE IN NEUROPHYSIOLOGY STUDIES UNIVERSITY OF MARYLAND BOITECHNOLOGY INSTITUTE 2001-10-30 US claimed
US-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2010-08-19 US disclosed
WO-2008008481-A2 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GEORGIA TECH RESEARCH CORPORATION (US) 2008-01-17 WO disclosed
US-6310083-B1 DERIVATIVES OF O-NITROMANDELYOXYCARBONYL WHICH ARE CAPABLE OF RELEASING AMINO ACIDS (OR DERIVATIVES THEREOF) UPON IRRADIATION WITH ULTRAVIOLET LIGHT; PRODUCING AMINO ACIDS (OR DERIVATIVES THEREOF) FOR USE IN NEUROPHYSIOLOGY STUDIES UNIVERSITY OF MARYLAND BOITECHNOLOGY INSTITUTE 2001-10-30 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-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GPX4, ERCC4, CYBA ALDH1A1 947/4885CYP1A2 4093/4885CYP3A4 2502/4885

“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.