SCHEMBL20183968

SCHEMBL20183968

O=Cc1ccc(C=O)c(C2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
ALDH1A3 P47895 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
EBP Q15125 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CEL P19835 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PSMB5 P28074 2/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
CYP2A6 P11509 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
SCHEMBL29036666 0.81 MAPT (0.44) ALDH1A1KDM4EHSP90AA1
SCHEMBL28475060 0.81 HSP90AA1 (0.54) ALDH1A1ALDH1A3KDM4EPTGS2RAB9A
SCHEMBL11160969 0.81 TDP1 (0.48) ALDH1A1TDP1CEL
SCHEMBL6744755 0.79 KDM4E (0.52) ALDH1A1ALDH1A3KDM4EPTGS2RAB9A
SCHEMBL11153829 0.79 TDP1 (0.50) TDP1CEL
SCHEMBL7469701 0.79 MAPT (0.41) ALDH1A1KDM4EHSP90AA1
SCHEMBL6987540 0.78 MAOA (0.40) ALDH1A1ALDH1A3SIGMAR1TMEM97EBP
SCHEMBL8031193 0.77 ALDH1A3 (0.49) ALDH1A1ALDH1A3SIGMAR1TMEM97EBP
SCHEMBL11673892 0.77 SIGMAR1 (0.54) ALDH1A1ALDH1A3SIGMAR1TMEM97EBP
SCHEMBL11231515 0.77 SIGMAR1 (0.54) ALDH1A1ALDH1A3SIGMAR1TMEM97EBP

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
US-10723690-B2 (Meth)acryloyl compound and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-07-28 US disclosed
US-20180210341-A1 NOVEL (METH)ACRYLOYL COMPOUND AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-07-26 US disclosed
EP-3326997-A1 NEW (METH)ACRYLOYL COMPOUND AND PRODUCTION METHOD FOR SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2018-05-30 EP disclosed
CN-107848946-A New (methyl) acryl compound and its manufacture method 三菱瓦斯化学株式会社 2018-03-27 CN 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-20180210341-A1 NOVEL (METH)ACRYLOYL COMPOUND AND METHOD FOR PRODUCING SAME MTR, MRM1, MT-CO1 ALDH1A1 158/4885ALDH1A3 1148/4885SIGMAR1 859/4885
US-10723690-B2 (Meth)acryloyl compound and method for producing same MTR, MRM1, MT-CO1 ALDH1A1 153/4885ALDH1A3 1328/4885SIGMAR1 1026/4885

“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.