SCHEMBL5312432

SCHEMBL5312432

Cc1ccc(CCC(CO)CO)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SKP2 Q13309 1/20 0.34
STAT3 P40763 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6377004 0.80 PSMB5 (0.40) CNR1LMNAESR1ESR2MMP1
SCHEMBL19232399 0.80 ESR2 (0.49) LMNAESR2MMP1MMP2MMP3
SCHEMBL19226680 0.79 IGF1R (0.38) PTGS1PTGS2CYP1A2
SCHEMBL5313879 0.79
SCHEMBL114265 0.78 TYR (0.42) CNR1LMNASMN1; SMN2ESR1ESR2
SCHEMBL18926474 0.78 MMP1 (0.40) CNR1LMNASMN1; SMN2ESR1ESR2
SCHEMBL6301819 0.77 ALDH1A1 (0.52) CNR1LMNAESR1ESR2PTGS1
SCHEMBL311370 0.76 PTGS1 (0.45) CNR1LMNAESR1ESR2PTGS1
SCHEMBL29597103 0.76 PTGS1 (0.45) CNR1LMNAESR1ESR2PTGS1
SCHEMBL29380988 0.76 PTGS1 (0.45) CNR1LMNAESR1ESR2PTGS1

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 CNR1 330/4885LMNA 3026/4885SMN1; SMN2 963/4885

“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.