SCHEMBL20183933

SCHEMBL20183933

CCCc1cc(C=O)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.42
ALDH1A1 P00352 9/20 0.40
ALDH3A1 P30838 5/20 0.40
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
FDPS P14324 1/20 0.36
CYP2A6 P11509 1/20 0.35
SRC P12931 1/20 0.35
PTGER4 P35408 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
HPGD P15428 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL11759112 0.89 ALDH1A3 (0.40) ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E
SCHEMBL29818830 0.86 HIF1A (0.41) ALDH1A3ALDH1A1ALDH3A1TSHRTDP1
SCHEMBL29818660 0.86 HIF1A (0.41) ALDH1A3ALDH1A1ALDH3A1TSHRTDP1
SCHEMBL4356827 0.86 ALDH1A3 (0.46) ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E
SCHEMBL10342853 0.84 CYP2A6 (0.52) ALDH1A3ALDH1A1ALDH3A1KDM4ERAB9A
SCHEMBL7117400 0.84 ALDH1A1 (0.42) ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E
SCHEMBL14477876 0.82 ALDH1A1 (0.41) ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E
SCHEMBL7120865 0.81 ALDH1A1 (0.40) ALDH1A3ALDH1A1ALDH3A1TSHRKDM4E
SCHEMBL9481170 0.81 PRKCI (0.38) ALDH1A1TSHRKDM4ETDP1SRC
SCHEMBL8646901 0.81 CNR1 (0.41) ALDH1A1SRC

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 3 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

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 ALDH1A3 1148/4885ALDH1A1 158/4885ALDH3A1 136/4885
US-10723690-B2 (Meth)acryloyl compound and method for producing same MTR, MRM1, MT-CO1 ALDH1A3 1328/4885ALDH1A1 153/4885ALDH3A1 143/4885

“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.