SCHEMBL5583414

SCHEMBL5583414

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
TSHR P16473 1/20 0.68
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CTSD P07339 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
MAPT P10636 3/20 0.41
CYP26A1 O43174 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 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
SCHEMBL5595476 0.86 CYP1A2 (0.56) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL258598 0.82 CYP1A2 (0.69) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL28557758 0.81 CYP1A2 (0.51) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL3259894 0.81 CYP1A2 (0.68) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL3051206 0.81 CYP1A2 (0.68) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL7263695 0.81 CYP1A2 (1.00) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL185472 0.81 CYP1A2 (0.68) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL7263686 0.81 CYP1A2 (1.00) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL10569743 0.80 CYP1A2 (0.50) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL10924597 0.80 NPC1 (0.51) CYP1A2TSHRALDH1A1MEN1KMT2A

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 CYP1A2 4649/4885TSHR 1938/4885ALDH1A1 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.