SCHEMBL9680240

SCHEMBL9680240

CCCCC1CC(=O)CC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
TLR4 O00206 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.30

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
SCHEMBL9680233 1.00 CYP1A2 (0.40) CYP1A2TLR4ALDH1A1KDM4EMEN1
SCHEMBL15526527 0.94 CYP1A2 (0.46) CYP1A2TLR4ALDH1A1KDM4EMEN1
SCHEMBL16582914 0.93 CYP1A2 (0.45) CYP1A2TLR4ALDH1A1MEN1HPGD
SCHEMBL3383889 0.88 NOS3 (0.34) CYP1A2MAPTNOS1NOS2NOS3
SCHEMBL2691102 0.83
SCHEMBL16581444 0.81 CYP1A2 (0.40) CYP1A2TLR4ALDH1A1KDM4EMEN1
SCHEMBL15526526 0.79 MAPT (0.32) MEN1MAPTKMT2ANOS1NOS2
SCHEMBL2691445 0.77 CYP1A2 (0.55) CYP1A2ALDH1A1KDM4EMEN1MAPT
SCHEMBL19976638 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1KDM4EMEN1MAPT
SCHEMBL2690939 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512059-B2 Killing of bed bugs BEDOUKIAN RESEARCH, INC. (US) 2016-12-06 US disclosed
US-20150087855-A1 KILLING OF BED BUGS BEDOUKIAN RESEARCH,INC. (US) 2015-03-26 US disclosed
EP-2844066-A1 KILLING OF BED BUGS Bedoukian Research, Inc. (US) 2015-03-11 EP disclosed
WO-2013165475-A1 KILLING OF BED BUGS BEDOUKIAN RESEARCH, INC. (US) 2013-11-07 WO disclosed
US-5134238-A Chiral copper amine complexes BRIGHAM YOUNG UNIVERSITY (US) 1992-07-28 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-20150087855-A1 KILLING OF BED BUGS L3MBTL3, L3MBTL4, CYCS CYP1A2 194/4885TLR4 2018/4885ALDH1A1 2005/4885

“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.