SCHEMBL4240945

SCHEMBL4240945

Cc1cc(Oc2ccc([N+](=O)[O-])cc2)c(C)cc1CC(C)(C)OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TBXA2R P21731 4/20 0.39
PDE7A Q13946 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSPB1 P04792 3/20 0.38
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4232022 0.86 PARP10 (0.37) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4240320 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTTBXA2R
SCHEMBL4228116 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTTBXA2R
SCHEMBL4238402 0.81 TBXA2R (0.39) ALDH1A1MEN1KMT2AMAPTTBXA2R
SCHEMBL4236908 0.80 HSPB1 (0.43) ALDH1A1MEN1KMT2AMAPTTBXA2R
SCHEMBL4228071 0.80 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4237489 0.80 TBXA2R (0.41) ALDH1A1MEN1KMT2AMAPTTBXA2R
SCHEMBL4237839 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4238193 0.79 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4233545 0.78 TDP2 (0.47) ALDH1A1MEN1KMT2AMAPTTBXA2R

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ALDH1A1 4542/4885MEN1 2447/4885KMT2A 3436/4885

“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.