SCHEMBL5490337

SCHEMBL5490337

[CH2]CNCCCCCCCCC(C)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33
GRIA1 P42261 3/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL10874428 0.84 ALDH1A1 (0.41) ALDH1A1TRPV1TRPA1MAPTPKM
SCHEMBL5131552 0.81
SCHEMBL9227994 0.80 CYP2C19 (0.50) ALDH1A1TRPV1TRPA1
SCHEMBL1272070 0.80 LMNA (0.39) ALDH1A1TRPV1TRPA1MAPT
SCHEMBL5191406 0.80 CYP2C19 (0.50) ALDH1A1TRPV1TRPA1
SCHEMBL1271389 0.80 LMNA (0.39) ALDH1A1TRPV1TRPA1MAPT
SCHEMBL1270840 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL7326104 0.77 CYP2C19 (0.52) ALDH1A1PKM
SCHEMBL28589480 0.76 ALDH1A1 (0.41) ALDH1A1TRPV1TRPA1MAPTPKM
SCHEMBL19293338 0.76 TSHR (0.52) ALDH1A1TRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194716-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2006-08-31 US claimed
US-6770621-B2 GLYCOPEPTIDE WITH TWO OR MORE CARBOXY GROUPS AT THE C-TERMINUS, NOT INCLUDING SPECIFIED TEICOPLANINS; TREATING BACTERIAL DISEASES THERAVANCE, INC. 2004-08-03 US claimed
US-20020055464-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2002-05-09 US claimed
WO-2001083520-A2 POLYACID GLYCOPEPTIDE DERIVATIVES THERAVANCE,INC (US) 2001-11-08 WO claimed
US-7244705-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2007-07-17 US disclosed
US-20060194716-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2006-08-31 US disclosed
US-7074760-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2006-07-11 US disclosed
US-20050164919-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-07-28 US disclosed
US-6906031-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2005-06-14 US disclosed
US-20040229775-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-11-18 US disclosed
US-6770621-B2 GLYCOPEPTIDE WITH TWO OR MORE CARBOXY GROUPS AT THE C-TERMINUS, NOT INCLUDING SPECIFIED TEICOPLANINS; TREATING BACTERIAL DISEASES THERAVANCE, INC. 2004-08-03 US disclosed
US-20020055464-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2002-05-09 US disclosed
WO-2001083520-A2 POLYACID GLYCOPEPTIDE DERIVATIVES THERAVANCE,INC (US) 2001-11-08 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 (4 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-20020055464-A1 Polyacid glycopeptide derivatives B3GAT3, GYPA, MGAT3 ALDH1A1 3941/4885TRPV1 2627/4885TRPA1 4806/4885
US-20040229775-A1 Polyacid glycopeptide derivatives B3GAT3, GYPA, MGAT3 ALDH1A1 3941/4885TRPV1 2627/4885TRPA1 4806/4885
US-20050164919-A1 Polyacid glycopeptide derivatives B3GAT3, NGLY1, DNPEP ALDH1A1 3877/4885TRPV1 2175/4885TRPA1 4603/4885
US-20060194716-A1 Polyacid glycopeptide derivatives B3GAT3, NGLY1, DNPEP ALDH1A1 3877/4885TRPV1 2175/4885TRPA1 4603/4885

“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.