SCHEMBL21074603

SCHEMBL21074603

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)cc3)CCC(c3ccc(C4CCC(CCC5CCC(CCCCC)CC5)CC4)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR3 Q99500 2/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ S1PR1 P21453 7/20 0.33
▸ SGPL1 O95470 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ LSS P48449 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
SCHEMBL21074600 0.99 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTS1PR3
SCHEMBL21074588 0.92 LSS (0.34) MEN1KMT2ALSS
SCHEMBL19722188 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTS1PR3
SCHEMBL19721839 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTRAB9A
SCHEMBL19722254 0.89 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTS1PR3
SCHEMBL21074619 0.88 LSS (0.33) MEN1KMT2ALSS
SCHEMBL19722118 0.88 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTRAB9A
SCHEMBL19722278 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTS1PR3
SCHEMBL19721990 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTRAB9A
SCHEMBL19722015 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTS1PR3

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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