SCHEMBL21291812

SCHEMBL21291812

CC=CC(=O)OCCCCCCCCCCCCC[Si](OC)(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APP P05067 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 2/20 0.33
ABCC1 P33527 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
HTT P42858 2/20 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
SCHEMBL21291809 1.00 HCAR2 (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL7880856 1.00 HCAR2 (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL26601171 1.00 HCAR2 (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL21291811 1.00 HCAR2 (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL20357243 1.00 HCAR2 (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL1132563 0.98 ATM (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL2672114 0.93 ATM (0.46) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL36569 0.93 ATM (0.46) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL28089518 0.92 ATM (0.44) HCAR2ATMALDH1A1TSHRCYP3A4
SCHEMBL8864127 0.90 ATM (0.41) HCAR2ATMALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024370-A1 PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, AND COATED ARTICLE 信越化学工業株式会社 2024-02-01 WO disclosed
US-11173100-B2 Multi-part dental cement KURARAY NORITAKE DENTAL INC. (JP) 2021-11-16 US disclosed
EP-3530257-B1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC (JP) 2021-09-08 EP disclosed
EP-3530258-B1 MULTI-PACK TYPE DENTAL CEMENT KURARAY NORITAKE DENTAL INC (JP) 2021-08-18 EP disclosed
US-10987281-B2 Self-adhesive dental composite resin KURARAY NORITAKE DENTAL INC. (JP) 2021-04-27 US disclosed
US-20200179237-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN KURARAY NORITAKE DENTAL INC. (JP) 2020-06-11 US disclosed
US-20190262240-A1 MULTI-PART DENTAL CEMENT KURARAY NORITAKE DENTAL INC. (JP) 2019-08-29 US disclosed
EP-3530258-A1 MULTI-PACK TYPE DENTAL CEMENT Kuraray Noritake Dental Inc. (JP) 2019-08-28 EP disclosed
EP-3530257-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN Kuraray Noritake Dental Inc. (JP) 2019-08-28 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 (4 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-20190262240-A1 MULTI-PART DENTAL CEMENT ASH2L, CAD, SETDB1 HCAR2 856/4885ATM 696/4885ALDH1A1 133/4885
US-11173100-B2 Multi-part dental cement ASH2L, CAD, SETDB1 HCAR2 856/4885ATM 696/4885ALDH1A1 133/4885
US-10987281-B2 Self-adhesive dental composite resin SMCHD1, CDH1, SMC1A HCAR2 743/4885ATM 1327/4885ALDH1A1 555/4885
US-20200179237-A1 SELF-ADHESIVE DENTAL COMPOSITE RESIN SMCHD1, CDH1, SMC1A HCAR2 743/4885ATM 1327/4885ALDH1A1 555/4885

“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.