SCHEMBL22483743

SCHEMBL22483743

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCC4CCC(CCCCC)CC4)cc3)cc2)ccc1OCC(COC(=O)C(=C)C)(COC(=O)C(=O)OC)COC(=O)C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
MTNR1B P49286 2/20 0.31
MTNR1A P48039 1/20 0.30
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
ESR1 P03372 1/20 0.30
PPARG P37231 2/20 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
SCHEMBL22483444 1.00 TSHR (0.32) TSHRCNR1CNR2PTPN1PTPN6
SCHEMBL22483585 0.98 TSHR (0.31) TSHRCNR1CNR2
SCHEMBL22483591 0.94 TSHR (0.31) TSHRCNR1CNR2PTPN1PTPN6
SCHEMBL22483443 0.94 TSHR (0.31) TSHRCNR1CNR2PTPN1PTPN6
SCHEMBL22483716 0.94 TSHR (0.30) TSHR
SCHEMBL22484023 0.92 TSHR (0.30) TSHR
SCHEMBL22483576 0.92 TSHR (0.32) TSHRCNR1CNR2MTNR1BMTNR1A
SCHEMBL26245488 0.91 CNR1 (0.32) TSHRCNR1CNR2
SCHEMBL22484021 0.91 TSHR (0.31) TSHRCNR1CNR2
SCHEMBL22484154 0.91 ESR1 (0.34) TSHRCNR1CNR2MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used DIC CORPORATION (JP) 2023-09-19 US disclosed
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used DIC CORPORATION (JP) 2023-09-19 US disclosed
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED DIC CORPORATION (JP) 2020-10-01 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 (2 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-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used SFXN1, SFXN3, SIK3 TSHR 2186/4885CNR1 199/4885CNR2 584/4885
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED SFXN1, SFXN3, SIK3 TSHR 2186/4885CNR1 199/4885CNR2 584/4885

“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.