SCHEMBL4352201

SCHEMBL4352201

CC(=CCCCCCCCCCCN(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
EP300 Q09472 1/20 0.41
KDM4A O75164 12/20 0.40
KDM4C Q9H3R0 12/20 0.40
KDM5A P29375 1/20 0.40
KDM7A Q6ZMT4 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
TBXAS1 P24557 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8850043 1.00 ALDH1A1 (0.42) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL8850000 1.00 ALDH1A1 (0.42) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL8849865 1.00 ALDH1A1 (0.42) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL4352572 1.00 ALDH1A1 (0.42) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL329006 0.98 ALDH1A1 (0.39) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL6065434 0.98 ALDH1A1 (0.39) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL23342 0.92 USP2 (0.38) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL637089 0.92 USP2 (0.38) ALDH1A1TSHREP300KDM4AKDM4C
Ammonia Solution, Strong SCHEMBL29268390 0.90 USP2 (0.37) ALDH1A1TSHREP300KDM4AKDM4C
SCHEMBL4859249 0.89 USP2 (0.36) ALDH1A1EP300KDM4AKDM4CKDM5A

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-20210085570-A1 ONE-PART DENTAL ADHESIVE COMPOSITION FOR FIXING DENTAL COMPOSITE MATERIALS 3M INNOVATIVE PROPERTIES COMPANY 2021-03-25 US disclosed
US-7615582-B2 One-pack type adhesive composition for dental use KURARAY MEDICAL INC. (JP) 2009-11-10 US disclosed
US-20070100020-A1 One-pack type adhesive composition for dental use KURARAY MEDICAL INC. (JP) 2007-05-03 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-20070100020-A1 One-pack type adhesive composition for dental use CDH1, COL1A1, COL2A1 ALDH1A1 419/4885TSHR 4681/4885EP300 772/4885
US-20210085570-A1 ONE-PART DENTAL ADHESIVE COMPOSITION FOR FIXING DENTAL COMPOSITE MATERIALS CDH1, F12, ACTN1 ALDH1A1 78/4885TSHR 4762/4885EP300 1152/4885

“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.