SCHEMBL22483434

SCHEMBL22483434

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1OCCCOC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.33
PTPN11 Q06124 2/20 0.33
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
PPARD Q03181 5/20 0.33
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
DGAT1 O75907 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 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
SCHEMBL19796638 0.94 TSHR (0.36) TSHRCYP2C9PTPN11PPARGPPARA
SCHEMBL22540493 0.91 TSHR (0.37) TSHRCYP2C9RAB9AALDH1A1LMNA
SCHEMBL19007877 0.90 TSHR (0.34) TSHRCYP2C9PTPN11PPARGPPARA
SCHEMBL19797012 0.88 PPARD (0.37) TSHRCYP2C9PTPN11PPARGPPARA
SCHEMBL22606229 0.88 TSHR (0.33) TSHRCYP2C9RAB9AALDH1A1LMNA
SCHEMBL22540492 0.88 TSHR (0.35) TSHRCYP2C9RAB9AALDH1A1LMNA
SCHEMBL22540499 0.87 TSHR (0.39) TSHRCYP2C9RAB9AALDH1A1LMNA
SCHEMBL22483576 0.87 TSHR (0.32) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL21305334 0.87 DGAT1 (0.32) TSHRCYP2C9PPARGPPARAPPARD
SCHEMBL19796517 0.86 TSHR (0.38) TSHRCYP2C9RAB9AALDH1A1LMNA

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 2186/4885CYP2C9 1642/4885PTPN11 2707/4885
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED SFXN1, SFXN3, SIK3 TSHR 2186/4885CYP2C9 1642/4885PTPN11 2707/4885

“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.