SCHEMBL6301878

SCHEMBL6301878

COCOc1ccc(CO)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CA2 P00918 3/20 0.50
HTT P42858 2/20 0.50
ACHE P22303 1/20 0.47
GAA P10253 2/20 0.46
TTR P02766 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CALM1 P0DP23 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL4255554 0.93 NPC1 (0.48) POLBNPC1RAB9ACA2HTT
SCHEMBL8866713 0.86 ATM (0.50) POLBCA2KDM4EATMCALM1
SCHEMBL119395 0.85 CA2 (0.68) POLBNPC1RAB9ACA2ACHE
SCHEMBL28170408 0.85 CA2 (0.68) POLBNPC1RAB9ACA2ACHE
SCHEMBL29997296 0.85 CA2 (0.68) POLBNPC1RAB9ACA2ACHE
SCHEMBL9706223 0.84 POLB (0.57) POLBNPC1RAB9ACA2HTT
SCHEMBL30714383 0.84 CALM1 (0.61) POLBNPC1RAB9ACA2HTT
SCHEMBL579760 0.84 CALM1 (0.61) POLBNPC1RAB9ACA2HTT
Methane SCHEMBL7067208 0.83 CA2 (0.65) POLBNPC1RAB9ACA2ACHE
Methyl Alcohol SCHEMBL28203224 0.83 CA2 (0.65) POLBNPC1RAB9ACA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same TRPV1, OPRL1, GPR180 POLB 4705/4885NPC1 3752/4885RAB9A 622/4885

“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.