SCHEMBL21074599

SCHEMBL21074599

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)cc3)CCC(c3ccc(CCCCC)c(CC)c3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ THRB P10828 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ S1PR3 Q99500 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
SCHEMBL21074608 0.88 S1PR1 (0.32) CNR2S1PR3
SCHEMBL21074601 0.85 FFAR4 (0.38) THRB
SCHEMBL21074651 0.84 THRB (0.42) THRBMEN1ALDH1A1KMT2A
SCHEMBL21074600 0.82 CYP2C9 (0.38) MEN1ALDH1A1KMT2AS1PR3
SCHEMBL21074598 0.82 SPHK1 (0.41) THRB
SCHEMBL21074636 0.81 THRB (0.34) CNR2CNR1THRBMEN1ALDH1A1
SCHEMBL21074603 0.81 CYP2C9 (0.37) MEN1ALDH1A1KMT2AS1PR3
SCHEMBL21074685 0.80 S1PR1 (0.31) S1PR3
SCHEMBL21074684 0.80 PPARG (0.32) THRB
SCHEMBL21074588 0.77 LSS (0.34) THRBMEN1KMT2A

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 CNR2 1900/4885CNR1 972/4885THRB 4725/4885

“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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