SCHEMBL8965481

SCHEMBL8965481

C=CC(=O)OCCCC(C)(C)OC(=O)C=C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.44
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 3/20 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
SCHEMBL22926219 0.95 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8465752 0.90 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8965587 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22475204 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22270828 0.87 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL81413 0.84 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25122979 0.84 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23494302 0.83 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21999396 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10067025 0.83 TSHR (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028038-B2 Preparation method of acrylic ester compound LG CHEM, LTD. 2021-06-08 US disclosed
US-20210024451-A1 Method for Preparing Crosslinker Compound LG CHEM, LTD. (KR) 2021-01-28 US disclosed
US-20200407308-A1 Preparation Method of Acrylic Ester Compound LG CHEM, LTD. (KR) 2020-12-31 US disclosed
US-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 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 (3 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-20210024451-A1 Method for Preparing Crosslinker Compound PCNA, MSH2, LIG4 TSHR 4587/4885ALDH1A1 1519/4885CYP3A4 355/4885
US-11028038-B2 Preparation method of acrylic ester compound NAAA, APEH, AASDHPPT TSHR 4570/4885ALDH1A1 284/4885CYP3A4 1177/4885
US-20200407308-A1 Preparation Method of Acrylic Ester Compound NAAA, APEH, AASDHPPT TSHR 4570/4885ALDH1A1 284/4885CYP3A4 1177/4885

“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.