SCHEMBL1011289

SCHEMBL1011289

CC(C)(C)c1ccc(CC(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.58
ALDH1A1 P00352 2/20 0.56
CYP26A1 O43174 1/20 0.55
CYP26B1 Q9NR63 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
RECQL P46063 1/20 0.54
LMNA P02545 1/20 0.53
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 1/20 0.53
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLAU P00749 1/20 0.51
SRD5A2 P31213 2/20 0.50
EPHX1 P07099 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 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
SCHEMBL10445018 0.93 ALDH1A1 (0.65) ESRRGALDH1A1RAB9ANPC1RECQL
SCHEMBL22599745 0.91 MAPT (0.59) ESRRGALDH1A1RAB9ANPC1RECQL
SCHEMBL7199268 0.84 MAPT (0.67) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL6751078 0.84 MAPT (0.72) ALDH1A1RAB9ANPC1RECQLLMNA
SCHEMBL6755450 0.83 SMN1; SMN2 (0.54) ALDH1A1RAB9ANPC1RECQLLMNA
SCHEMBL6751080 0.83 NPC1 (0.68) ALDH1A1RAB9ANPC1RECQLLMNA
SCHEMBL20703329 0.83 SMN1; SMN2 (0.54) ALDH1A1RAB9ANPC1RECQLLMNA
SCHEMBL5224051 0.83 MAPT (0.47) ALDH1A1CYP26A1CYP26B1RAB9ANPC1
SCHEMBL5608126 0.83 ESRRG (0.63) ESRRGALDH1A1RAB9ANPC1RECQL
SCHEMBL1040696 0.82 PIK3CA (0.55) RAB9ANPC1EPHX2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214283-B Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2022-09-30 CN disclosed
CN-113214283-A Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2021-08-06 CN disclosed
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
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 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
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 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
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same TRPV1, TRPA1, TRPV5 ESRRG 1864/4885ALDH1A1 612/4885CYP26A1 859/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ESRRG 708/4885ALDH1A1 3105/4885CYP26A1 2460/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ESRRG 654/4885ALDH1A1 3238/4885CYP26A1 2791/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ESRRG 654/4885ALDH1A1 3238/4885CYP26A1 2791/4885

“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.