SCHEMBL5332906

SCHEMBL5332906

CC(C)(C)c1ccc(CCC(CO)NC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.47
NR1H4 Q96RI1 4/20 0.44
EPHX2 P34913 3/20 0.44
SLC13A5 Q86YT5 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ESRRB O95718 3/20 0.43
GRIA4 P48058 1/20 0.41
RECQL P46063 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL3066768 0.81 CNR2 (0.51) NPC1RAB9A
SCHEMBL4607184 0.81 CNR2 (0.51) NPC1RAB9A
SCHEMBL23201144 0.81 CNR2 (0.51) NPC1RAB9A
SCHEMBL6308451 0.78 MMP1 (0.42) NR1H4
SCHEMBL5336601 0.74 RECQL (0.45) ESRRGSLC13A5ESRRBGRIA4RECQL
SCHEMBL1596656 0.73 MAPK1 (0.48) EPHX2NPC1RAB9AACACB
SCHEMBL11828934 0.73 ESRRG (0.49) ESRRGNR1H4EPHX2SLC13A5NPC1
SCHEMBL22651514 0.73 ESRRG (0.49) ESRRGNR1H4EPHX2SLC13A5NPC1
SCHEMBL16384160 0.73 PPARA (0.50)
SCHEMBL5018566 0.72 HDAC1 (0.43)

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
WO-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO 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-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 ESRRG 384/4885NR1H4 509/4885EPHX2 2563/4885

“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.