SCHEMBL21074693

SCHEMBL21074693

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(C)(C)CO)cc3)CCC(CCC3CCC(CCCCC)CC3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ LSS P48449 2/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL21074588 0.92 LSS (0.34) LSSADORA3
SCHEMBL21074619 0.87 LSS (0.33) LSSADORA3
SCHEMBL21074683 0.86 — —
SCHEMBL21074603 0.85 CYP2C9 (0.37) LSS
SCHEMBL21074600 0.84 CYP2C9 (0.38) LSS
SCHEMBL21074650 0.83 ADORA3 (0.37) ADORA3
SCHEMBL14727684 0.82 KMT2A (0.38) ELANELSSADORA3
SCHEMBL21091631 0.82 THRB (0.34) —
SCHEMBL14727675 0.80 KMT2A (0.39) ELANEADORA3
SCHEMBL21074590 0.79 BCHE (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ELANE 3397/4885LSS 699/4885ADORA3 1028/4885

“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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