SCHEMBL13220960

SCHEMBL13220960

O=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.72
CRHR2 Q13324 1/20 0.72
HSPB1 P04792 5/20 0.68
MAPT P10636 7/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
LMNA P02545 2/20 0.56
TTR P02766 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.50
HTT P42858 2/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
VCAM1 P19320 1/20 0.49
PDE7A Q13946 1/20 0.48
PTPN1 P18031 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL13220970 0.86 ALDH1A1 (0.70) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL6157958 0.85 MAPT (0.67) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL1341548 0.85 HSPB1 (0.79) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL13220974 0.84 HSPB1 (0.68) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL13220948 0.82 ALDH1A1 (0.61) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL29159284 0.81 MAPT (0.73) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL13220955 0.80 PDE7A (0.70) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL4319388 0.80 ALDH1A1 (0.54) CRHBPCRHR2MAPTALDH1A1MEN1
SCHEMBL7971986 0.79 HPGD (0.53) CRHBPCRHR2HSPB1MAPTALDH1A1
SCHEMBL30816847 0.79 ALDH1A1 (0.51) CRHBPCRHR2HSPB1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 CRHBP 1514/4885CRHR2 332/4885HSPB1 4544/4885

“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.