SCHEMBL7030596

SCHEMBL7030596

[CH2]CCCC(C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.37
FAAH O00519 5/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7074331 0.88 TSHR (0.45) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL19456974 0.88 TSHR (0.45) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL6557557 0.88 TSHR (0.45) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL672062 0.86 TSHR (0.50) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL23494200 0.85 TSHR (0.47) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL28163015 0.85 TSHR (0.42) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL27759351 0.85 TSHR (0.42) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL185499 0.85 TSHR (0.53) TSHRHPGDFAAHALDH1A1CYP3A4
SCHEMBL991328 0.83 FAAH (0.50) TSHRHPGDFAAHALDH1A1CNR1
SCHEMBL28597918 0.83 TSHR (0.46) TSHRHPGDFAAHALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116515023-A Composition and cured product 东京应化工业株式会社 2023-08-01 CN disclosed
CN-116514161-A Nanoparticle, nanoparticle dispersion liquid, and method for producing nanoparticle 东京应化工业株式会社 2023-08-01 CN disclosed
CN-116041382-A Method for producing organosilicon compounds containing (meth) acryloxy groups 信越化学工业株式会社 2023-05-02 CN disclosed
US-20030064172-A1 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MITBESCHRANKTER HAFTUNG (DE) 2003-04-03 US disclosed
US-5643495-A 1,2,2,2-tetrafluoroethyl ethers, and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-07-01 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-20030064172-A1 Liquid-crystalline medium AQP1, ZYX, ROCK1 TSHR 4445/4885HPGD 4516/4885FAAH 3092/4885

“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.