SCHEMBL7053965

SCHEMBL7053965

CO[CH]Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
MAOB P27338 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3071789 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHPGDTDP1KDM4E
SCHEMBL1802351 0.80 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL29951221 0.78 ALDH1A1 (0.60) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL415792 0.78 ALDH1A1 (0.60) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL7528501 0.77 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL1135905 0.77 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL30367918 0.77 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL261866 0.77 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1KDM4E
SCHEMBL10885936 0.77 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL27554222 0.77 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1L3MBTL1

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-20030181742-A1 Process for the preparation of pregnane derivatives KURARAY CO., LTD. (JP) 2003-09-25 US disclosed
EP-1325928-A1 PROCESS FOR THE PREPARATION OF PREGNANE DERIVATIVES Kuraray Co., Ltd. (JP) 2003-07-09 EP 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-20030181742-A1 Process for the preparation of pregnane derivatives CYP21A2, CYP11B2, CYP17A1 ALDH1A1 1934/4885TSHR 1634/4885HPGD 190/4885

“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.