SCHEMBL13220970

SCHEMBL13220970

Cc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
MAPK1 P28482 3/20 0.70
KMT2A Q03164 8/20 0.56
MAPT P10636 7/20 0.56
MEN1 O00255 6/20 0.56
LMNA P02545 5/20 0.56
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TTR P02766 1/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.49
HSPB1 P04792 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
VCAM1 P19320 1/20 0.49

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
SCHEMBL13220960 0.86 CRHBP (0.72) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL6157958 0.85 MAPT (0.67) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL13220948 0.85 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL31090846 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL29159284 0.81 MAPT (0.73) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL25518736 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL13220955 0.80 PDE7A (0.70) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL11130090 0.80 TTR (0.61) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL8241642 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL6927965 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA

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 ALDH1A1 1328/4885SMN1; SMN2 148/4885MAPK1 3250/4885

“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.