SCHEMBL22820105

SCHEMBL22820105

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)ccc1CCC(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL19796695 0.92 TSHR (0.32) TSHR
SCHEMBL19796600 0.91 TSHR (0.37) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796583 0.91 TSHR (0.37) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796517 0.90 TSHR (0.38) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL21615468 0.89 TSHR (0.31) TSHR
SCHEMBL19797001 0.89 TSHR (0.35) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796586 0.88 TSHR (0.35) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796829 0.87 FFAR4 (0.34) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796542 0.87 TSHR (0.36) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL18646445 0.86 TSHR (0.31) TSHR

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-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound DIC CORPORATION (JP) 2023-08-29 US disclosed
US-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound DIC CORPORATION (JP) 2023-08-29 US disclosed
US-20200399539-A1 POLYMERIZABLE COMPOUND AS WELL AS LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH INCLUDING POLYMERIZABLE COMPOUND DIC CORPORATION (JP) 2020-12-24 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-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound OCIAD2, PKN2, SKP1 TSHR 4737/4885CYP2C9 3955/4885ALDH1A1 3448/4885
US-20200399539-A1 POLYMERIZABLE COMPOUND AS WELL AS LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH INCLUDING POLYMERIZABLE COMPOUND OCIAD2, PKN2, SKP1 TSHR 4737/4885CYP2C9 3955/4885ALDH1A1 3448/4885

“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.