SCHEMBL6100423

SCHEMBL6100423

COc1cc(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NFKB1 P19838 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALOX5 P09917 1/20 0.50
OR51E2 Q9H255 1/20 0.50
TAAR1 Q96RJ0 2/20 0.49
CALM1 P0DP23 1/20 0.49
MAPK1 P28482 1/20 0.49
FOS P01100 1/20 0.48
TTR P02766 1/20 0.48
JUN P05412 1/20 0.48
NR3C1 P04150 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47

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
SCHEMBL16586091 0.82 KMT2A (0.49) TSHRGAAALDH1A1TDP1MAPK1
SCHEMBL1751797 0.82 GAA (0.73) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL9040078 0.82 TSHR (0.73) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL30128009 0.82 GAA (0.73) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL3013095 0.81 CSNK2A2 (0.50) ALDH1A1ALOX5MAPK1HSD17B2
SCHEMBL31225910 0.81 CA2 (0.55) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL27555525 0.79 ABL1 (0.47) GAAALDH1A1TDP1TTRNR3C1
SCHEMBL1596139 0.79 GAA (0.78) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL7114863 0.78 TSHR (0.77) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL2002022 0.78 ALDH1A1 (0.67) TSHRGAAALDH1A1NFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
EP-1154989-B1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORP (KR) 2005-12-14 EP disclosed
US-6872748-B2 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same DIGITAL BIOTECH CO., LTD. (KR) 2005-03-29 US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 US disclosed
US-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same MEDIFRON DBT CO., LTD. (KR) 2004-04-01 US disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 EP disclosed
WO-2003027064-A1 SIMPLIFIED RESINIFERATOXIN ANALOGUES AS VANILLOID RECEPTOR AGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL CO MPOSITIONS CONTAINING THE SAME DIGITAL BIOTECH CO. LTD,. (KR) 2003-04-03 WO disclosed
US-6476076-B1 Vanilloid analogues containing resinferatoxin pharmacophores as potent vanilloid receptor agonists and analgesics, compositions and uses thereof PACIFIC CORPORATION (KR) 2002-11-05 US disclosed
EP-1154989-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2001-11-21 EP disclosed
WO-2000050387-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2000-08-31 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 (2 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-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same TRPV1, OPRL1, GPR180 TSHR 1226/4885GAA 1908/4885ALDH1A1 2995/4885
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 TSHR 3162/4885GAA 4362/4885ALDH1A1 684/4885

“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.