SCHEMBL5336601

SCHEMBL5336601

CC(C)(C)c1ccc(CCC(CO)CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
KCNH2 Q12809 1/20 0.44
GRIA4 P48058 1/20 0.42
ESRRG P62508 4/20 0.41
SLC13A5 Q86YT5 2/20 0.41
ESRRB O95718 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 2/20 0.40
TYR P14679 1/20 0.40
GPR84 Q9NQS5 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
SCHEMBL5313978 0.81 TRPV1 (0.45)
SCHEMBL6381994 0.80 TSHR (0.52) RECQLKCNH2TP53TSHRSIGMAR1
SCHEMBL1660004 0.78 GRIA4 (0.47) RECQLKCNH2GRIA4ESRRGSLC13A5
SCHEMBL6990008 0.78 GRIA4 (0.44) RECQLKCNH2GRIA4ESRRGSLC13A5
SCHEMBL29182459 0.78 TAAR1 (0.46) TP53TSHRGPR84
SCHEMBL8648913 0.78 ALDH1A1 (0.36) RECQLKCNH2
SCHEMBL697688 0.77 CA2 (0.52) KCNH2GRIA4ESRRGSLC13A5ESRRB
SCHEMBL115558 0.77 KCNH2 (0.49) RECQLKCNH2GRIA4ESRRGSLC13A5
SCHEMBL7456580 0.76 KCNH2 (0.59) KCNH2GRIA4ESRRGSLC13A5ESRRB
SCHEMBL17193503 0.76 LPL (0.45) GPR84

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
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

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 RECQL 2307/4885KCNH2 490/4885GRIA4 324/4885

“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.