SCHEMBL2233053

SCHEMBL2233053

CCN(CC)C(=O)COCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.51
LMNA P02545 2/20 0.50
APP P05067 1/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
MAPT P10636 1/20 0.44
TSPO P30536 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10381434 0.87 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ATRPM8LMNA
SCHEMBL6974510 0.85 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ATRPM8LMNA
SCHEMBL7230861 0.84 ALDH1A1 (0.54) ALDH1A1LMNATSHRMAPK1LTB4R2
SCHEMBL2290221 0.82 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9ATSHRMAPK1
SCHEMBL21026913 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ATSHRMAPT
SCHEMBL4831257 0.81 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ATRPM8LMNA
SCHEMBL1276417 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ATSHRMAPK1
Ether SCHEMBL954914 0.79 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ATSHRALOX15
SCHEMBL4234185 0.78 NPC1 (0.47) ALDH1A1NPC1RAB9AAPPTSHR
SCHEMBL22312249 0.78 KMT2A (0.52) ALDH1A1NPC1SMN1; SMN2

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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
EP-2536277-B1 3-AMINOCARBONYL SUBSTITUTED BENZOYLCYCLOHEXANDIONS AND THEIR APPLICATION AS HERBICIDES BAYER IP GMBH (DE) 2016-01-20 EP disclosed
US-8557741-B2 3-aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-15 US disclosed
US-20110207605-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-08-25 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 (2 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 ALDH1A1 944/4885NPC1 3350/4885RAB9A 2668/4885
US-20110207605-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides DDT, CBR3, CBR1 ALDH1A1 133/4885NPC1 4861/4885RAB9A 3769/4885

“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.