SCHEMBL12458561

SCHEMBL12458561

C=C(C)C(=O)OCCOc1cccc2cccc(OCCOC(=O)C(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NMT2 O60551 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12458556 0.92 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL12458608 0.87 THRB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL12458602 0.87 KDM4E (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL10580556 0.79 THRB (0.50) THRBPOLBAPEX1HTTTDP1
SCHEMBL2033775 0.79 KDM4E (0.58) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL29791099 0.79 KDM4E (0.58) TDP1TSHRALDH1A1KDM4EHPGD
SCHEMBL10871016 0.78 THRB (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL2608171 0.77 THRB (0.59) THRBPOLBAPEX1HTTTDP1
SCHEMBL12458558 0.76 POLB (0.47) THRBPOLBAPEX1HTTTDP1
SCHEMBL18721452 0.76 HTT (0.45) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8900479-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2014-12-02 — — US disclosed
US-8900479-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2014-12-02 — — US disclosed
US-20120236246-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-09-20 — — US disclosed
US-20120236246-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-09-20 — — 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-20120236246-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LASP1, VCL, NLK THRB 4782/4885POLB 3994/4885APEX1 3672/4885

“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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