SCHEMBL2180229

SCHEMBL2180229

CCCCC(CC)COc1c2ccccc2c(OCC(CC)CCCC)c2cc(CC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 5/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 4/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPK1 P28482 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
KIF11 P52732 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29370905 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29369013 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23089891 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29362343 0.87 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1401911 0.87 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398484 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30434150 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398563 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23089939 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29371001 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
US-11352450-B2 Photopolymerization sensitizer composition KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-06-07 US disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
US-20210079127-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-03-18 US disclosed
US-8025386-B2 Inkjet recording apparatus KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2011-09-27 US disclosed
US-20110165387-A1 ACTINIC ENERGY RADIATION CURABLE INK-JET INK, IMAGE FORMING METHOD USING THE SAME, AND PRINTED MATTER OBTAINED THEREBY KONICA MINOLTA IJ TECHNOLOGIES, INC. (JP) 2011-07-07 US disclosed
EP-2266812-A2 Image forming method using actinic energy radiation curable ink-jet ink and printed matter obtained thereby Konica Minolta IJ Technologies, Inc. (JP) 2010-12-29 EP disclosed
US-20080151029-A1 INKJET RECORDING APPARATUS KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-06-26 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC ALDH1A1 1023/4885CYP3A4 726/4885CA2 1806/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC ALDH1A1 1023/4885CYP3A4 726/4885CA2 1806/4885

“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.