SCHEMBL28343371

SCHEMBL28343371

C=CC(=O)OCCC(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 3/20 0.43
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
THRA P10827 1/20 0.30

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
SCHEMBL5665729 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2608181 0.79 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1755538 0.79 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12259953 0.77 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL820628 0.77 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3783039 0.77 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3939041 0.77 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10337183 0.77 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10308361 0.76 ADRA2A (0.30)
SCHEMBL2608176 0.76 TSHR (0.69) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570787-B2 Curable compositions and articles prepared therefrom TRANSITIONS OPTICAL, LTD. (IE) 2026-03-10 US disclosed
EP-4562458-A1 CURABLE PHOTOCHROMIC COMPOSITIONS INCLUDING HYDRAZIDE AND CARBONYL FUNCTIONAL COMPONENTS Transitions Optical, Ltd. (IE) 2025-06-04 EP disclosed
WO-2024022586-A1 CURABLE PHOTOCHROMIC COMPOSITIONS INCLUDING HYDRAZIDE AND CARBONYL FUNCTIONAL COMPONENTS TRANSITIONS OPTICAL, LTD. (IE) 2024-02-01 WO disclosed
US-20230323011-A1 Curable Compositions and Articles Prepared Therefrom TRANSITIONS OPTICAL, LTD. (IE) 2023-10-12 US disclosed
EP-4204473-A1 CURABLE COMPOSITIONS AND ARTICLES PREPARED THEREFROM Transitions Optical, Ltd. (IE) 2023-07-05 EP disclosed
CN-115968382-A Curable compositions and articles prepared therefrom 光学转变有限公司 2023-04-14 CN disclosed
WO-2022042841-A1 CURABLE COMPOSITIONS AND ARTICLES PREPARED THEREFROM TRANSITIONS OPTICAL, LTD. (IE) 2022-03-03 WO disclosed
CN-110620185-A Organic light emitting device 三星显示有限公司 2019-12-27 CN 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-12570787-B2 Curable compositions and articles prepared therefrom EHMT2, EHMT1, BHMT2 TSHR 3505/4885ALDH1A1 1039/4885TP53 2226/4885

“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.