SCHEMBL16129649

SCHEMBL16129649

COCCCOCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.56
TSHR P16473 2/20 0.49
CASP6 P55212 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL17511817 0.92 HCAR3 (0.58) HCAR3TSHRCASP6LMNAMAPT
SCHEMBL28545324 0.86 CASP6 (0.50) HCAR3TSHRCASP6LMNA
SCHEMBL177446 0.86 HCAR3 (0.53) HCAR3TSHRCASP6LMNA
SCHEMBL4175596 0.85 CASP6 (0.58) HCAR3TSHRCASP6LMNAMAPT
SCHEMBL16129686 0.84 CASP6 (0.54) HCAR3TSHRCASP6LMNA
SCHEMBL28748754 0.82 HCAR3 (0.51) HCAR3TSHRCASP6LMNA
SCHEMBL16129652 0.82 ALDH1A1 (0.53) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL13264670 0.80 CASP6 (0.55) HCAR3TSHRCASP6LMNAMAPT
SCHEMBL6476753 0.80 TSHR (0.51) HCAR3TSHRCASP6LMNA
SCHEMBL6950169 0.78 CASP6 (0.55) HCAR3TSHRCASP6LMNA

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-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 HCAR3 2562/4885TSHR 3456/4885CASP6 3484/4885

“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.