SCHEMBL8024733

SCHEMBL8024733

CCC(C)C(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
AGTR1 P30556 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PTPN1 P18031 1/20 0.46
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
GAA P10253 3/20 0.44
TP53 P04637 2/20 0.44
HDAC3 O15379 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
SCHEMBL8955129 0.85 POLB (0.53) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL28473094 0.81 KMT2A (0.49) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL18825668 0.80 GAA (0.48) POLBKMT2AMEN1AGTR1RAB9A
SCHEMBL18825667 0.80 GAA (0.48) POLBKMT2AMEN1AGTR1RAB9A
SCHEMBL1107037 0.80 KMT2A (0.60) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL5209634 0.80 KMT2A (0.51) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL2526234 0.79 KMT2A (0.63) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL633365 0.77 POLB (0.49) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL11318423 0.77 KMT2A (0.56) POLBKMT2AMEN1AGTR1NPC1
SCHEMBL5747190 0.77 KMT2A (0.56) POLBKMT2AMEN1AGTR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations SEMIOSBIO TECHNOLOGIES INC. (CA) 2021-09-14 US disclosed
US-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations SEMIOSBIO TECHNOLOGIES INC. (CA) 2021-09-14 US disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
US-9959392-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-20140221269-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-07 US disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed
WO-2012129702-A1 CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS SEMIOSBIO TECHNOLOGIES INC. (CA) 2012-10-04 WO disclosed
WO-2009073713-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
EP-0211303-B1 2-ACYL-5-METHYL FURANS, PROCESS FOR THEIR PREPARATION AND THEIR USE HAARMANN & REIMER GMBH (DE) 1990-01-31 EP disclosed
EP-0211303-A2 2-Acyl-5-methyl furans, process for their preparation and their use HAARMANN & REIMER GMBH (DE) 1987-02-25 EP 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-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations DDT, AOC1, EGLN1 POLB 3757/4885KMT2A 798/4885MEN1 3357/4885

“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.