SCHEMBL30679055

SCHEMBL30679055

C=CC(=O)OCCCCCC=C(C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 1/20 0.50
EP300 Q09472 1/20 0.50
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
HCAR2 Q8TDS4 3/20 0.38
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL30679047 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDEP300
SCHEMBL20553764 0.81 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDEP300
SCHEMBL482460 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL33725 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3503091 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13283404 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL322713 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20873747 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8493780 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9101988 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513016-B Sulfur-containing polymerizable monomer and use thereof 尚美德齿科材料有限公司 2023-12-19 CN disclosed
US-11844847-B2 Sulfur-containing polymerizable monomer and use thereof SUN MEDICAL CO., LTD. (JP) 2023-12-19 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 (1 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-11844847-B2 Sulfur-containing polymerizable monomer and use thereof MGMT, SETDB1, ASH2L TSHR 4059/4885ALDH1A1 2202/4885CYP3A4 2691/4885

“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.