SCHEMBL5583415

SCHEMBL5583415

O=C(O)C(Cc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27608848 0.87 ALDH1A1 (0.48) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL5595483 0.87 PTPN1 (0.51) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3096665 0.83 ALDH1A1 (0.55) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL10668707 0.81 ALDH1A1 (0.51) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL258742 0.81 ALDH1A1 (0.51) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL258592 0.81 ALDH1A1 (0.51) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL10687014 0.79 ALDH1A1 (0.54) TSHRCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL43104 0.79 ALPI (0.51) TSHRCYP1A2ALDH1A1
SCHEMBL8977587 0.79 ALPI (0.51) TSHRCYP1A2ALDH1A1
SCHEMBL8986743 0.79 POLB (0.51) TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 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-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK TSHR 1938/4885CYP1A2 4649/4885ALDH1A1 2920/4885

“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.