SCHEMBL6857698

SCHEMBL6857698

O=C(O)C=Cc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
GPR35 Q9HC97 2/20 0.50
NFKB1 P19838 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOB P27338 1/20 0.44
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ERN1 O75460 1/20 0.42
MEN1 O00255 3/20 0.42
DBH P09172 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL6857696 1.00 MAPT (0.59) MAPTGPR35NFKB1CA1CA2
SCHEMBL29972895 0.83 MAPT (0.58) MAPTGPR35NFKB1POLBALDH1A1
SCHEMBL942824 0.80 CA1 (0.61) MAPTNFKB1CA1CA2CA4
SCHEMBL942822 0.80 CA1 (0.61) MAPTNFKB1CA1CA2CA4
O-Coumaric Acid SCHEMBL6824128 0.78 MAPT (0.68) MAPTGPR35NFKB1CA1CA2
O-Coumaric Acid SCHEMBL6824137 0.78 MAPT (0.68) MAPTGPR35NFKB1CA1CA2
SCHEMBL3050110 0.78 GPR35 (0.58) MAPTGPR35ALDH1A1KMT2ATDP1
SCHEMBL5595086 0.77 MAPT (0.73) MAPTGPR35NFKB1CA1CA2
SCHEMBL5595081 0.77 MAPT (0.73) MAPTGPR35NFKB1CA1CA2
SCHEMBL6785545 0.77 MAPT (0.73) MAPTGPR35NFKB1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD MAPT 3447/4885GPR35 52/4885NFKB1 1428/4885

“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.