SCHEMBL1999709

SCHEMBL1999709

CCOC(=O)/C(C)=C/c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
TRPV1 Q8NER1 1/20 0.41
HPGD P15428 2/20 0.41
HSP90AA1 P07900 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1999710 1.00 MAPT (0.53) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL16969110 0.86 NPSR1 (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3609468 0.83 MAPT (0.58) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3609471 0.83 MAPT (0.58) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10885404 0.82 MAPT (0.57) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7030290 0.82 KMT2A (0.76) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10564181 0.82 MAPT (0.57) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL12035802 0.82 KMT2A (0.57) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5617201 0.82 KMT2A (0.57) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7651650 0.82 KMT2A (0.76) MAPTMEN1KMT2ALMNANPSR1

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-7960584-B2 3-(4-t-butyl-phenyl)-N-(4-methanesulfonylamino-benzyl)-2-methyl-acrylamide; pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane AMOREPACIFIC CORPORATION (KR) 2011-06-14 US disclosed
US-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same AMOREPACIFIC CORPORATION (KR) 2008-09-25 US disclosed
EP-1861358-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101321-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same TRPV1, TRPA1, TRPV5 MAPT 4738/4885MEN1 2136/4885KMT2A 4597/4885

“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.