SCHEMBL176879

SCHEMBL176879

Cc1ccc(O[PH](=O)Oc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.44
MAPT P10636 6/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL178068 0.80 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL8755086 0.79 MAPT (0.49) ALDH1A1TSHRMAPTMAPK1HPGD
SCHEMBL28356761 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL11037844 0.79 MAPT (0.55) ALDH1A1TSHRCYP3A4MAPTKMT2A
SCHEMBL177217 0.77 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL25230829 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL17368518 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL3721960 0.76 MAPT (0.64) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL4237009 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL12031432 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10

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-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 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-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 ALDH1A1 2705/4885TSHR 481/4885CYP3A4 3376/4885

“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.