SCHEMBL21074602

SCHEMBL21074602

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)c(CC)c3)CCC(c3ccc(-c4ccc(C5CCC(CCCCC)CC5)cc4)cc3)CC2)cc1CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ S1PR1 P21453 7/20 0.32
▸ SGPL1 O95470 2/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ DGAT1 O75907 2/20 0.31
▸ APP P05067 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SOAT1 P35610 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
SCHEMBL21074590 0.89 BCHE (0.32) —
SCHEMBL21074684 0.88 PPARG (0.32) —
SCHEMBL21074607 0.85 SPHK1 (0.32) —
SCHEMBL21074600 0.85 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTS1PR1
SCHEMBL21074603 0.84 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTS1PR1
SCHEMBL21074683 0.83 — —
SCHEMBL19722518 0.83 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTS1PR1
SCHEMBL21074612 0.82 — —
SCHEMBL19722332 0.81 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTS1PR1
SCHEMBL19721990 0.81 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495343-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2019-06-12 — — EP disclosed
US-20190169502-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2019-06-06 — — 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-20190169502-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PLD1, AP3D1, CCND1 CYP2C9 3394/4885ALDH1A1 2853/4885LMNA 987/4885

“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.

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