SCHEMBL6767181

SCHEMBL6767181

C=CC(=O)Oc1ccc(O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
RAB9A P51151 1/20 0.50
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 4/20 0.49
NFE2L2 Q16236 3/20 0.49
ALOX5 P09917 3/20 0.49
CYP3A4 P08684 3/20 0.49
PTGS1 P23219 2/20 0.49
AR P10275 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
TDP1 Q9NUW8 4/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
TRIM24 O15164 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49

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
SCHEMBL6767178 0.89 ERN1 (0.47) TRPA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL13255760 0.88 KMT2A (0.49) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL28470559 0.87 TUBB1 (0.49) MEN1KMT2ARAB9AALDH1A1ALOX5
SCHEMBL31648375 0.87 TUBB1 (0.49) MEN1KMT2ARAB9AALDH1A1ALOX5
SCHEMBL27529057 0.86 CA12 (0.53) MEN1KMT2AALDH1A1CYP3A4PTGS1
SCHEMBL28025904 0.85 ALDH1A1 (0.54) TRPA1MEN1KMT2ASLC22A6SLC22A8
SCHEMBL10867144 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL29242002 0.81 PKM (0.48) MEN1KMT2AALOX5CYP3A4PTGS1
SCHEMBL377390 0.81 SLC22A6 (0.55) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL28073562 0.81 PTGS1 (0.58) RAB9AALDH1A1PTGS1NFKB1KDM4E

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
CN-114957249-A Irreversible covalent CDK inhibitor and preparation method and application thereof 东南大学 2022-08-30 CN disclosed
CN-111973586-A Application of 4-aryl coumarin compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-11-24 CN disclosed
CN-100340589-C Thermoplastic containers exhibiting excellent protection to various ultraviolet susceptible compounds MILLIKEN & CO (US) 2007-10-03 CN disclosed
US-20040013614-A1 Acrylic-based adhesive composition BTG INTERNATIONAL LIMITED (GB) 2004-01-22 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-20040013614-A1 Acrylic-based adhesive composition C5AR1, C1R, COL2A1 TRPA1 2900/4885MEN1 3333/4885KMT2A 3555/4885

“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.