SCHEMBL4226983

SCHEMBL4226983

COc1cc([N+](=O)[O-])ccc1OCCc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
MAPT P10636 4/20 0.49
CYP19A1 P11511 3/20 0.49
ENPP2 Q13822 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL5704650 0.81 CYP19A1 (0.63) MAPTCYP19A1MEN1ALDH1A1KMT2A
SCHEMBL222640 0.79 SMN1; SMN2 (0.57) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL4229257 0.79 TTR (0.69) TTRMAPTMEN1ALDH1A1KMT2A
SCHEMBL17844309 0.78 PDE4A (0.65) TTRPOLBPDE4APDE4BPDE4C
SCHEMBL30622576 0.78 PDE4A (0.65) TTRPOLBPDE4APDE4BPDE4C
SCHEMBL28814873 0.78 PLA2G4B (0.66) KCNH2
SCHEMBL224123 0.78 TDP1 (0.60) TTRMAPTCYP19A1MEN1ALDH1A1
SCHEMBL1531280 0.77 PTGDR2 (0.63) TTRMAPTMEN1ALDH1A1KMT2A
SCHEMBL1667630 0.77 MEN1 (0.56) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL1667628 0.77 MEN1 (0.56) MAPTMEN1ALDH1A1KMT2APOLB

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 TTR 2137/4885MAPT 1398/4885CYP19A1 862/4885

“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.