SCHEMBL12458558

SCHEMBL12458558

C=C(C)C(=O)OCCOc1cc2ccccc2cc1OCCOC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ THRB P10828 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37

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
SCHEMBL15302509 0.90 POLB (0.44) POLBTDP1APEX1HTTTHRB
SCHEMBL10580556 0.87 THRB (0.50) POLBTDP1APEX1HTTTHRB
SCHEMBL15302556 0.86 KDM4E (0.45) POLBTDP1APEX1HTTTHRB
SCHEMBL12458557 0.85 TDP1 (0.43) POLBTDP1APEX1HTTTHRB
SCHEMBL29791122 0.85 KDM4E (0.54) POLBTDP1APEX1HTTALDH1A1
SCHEMBL2033345 0.85 KDM4E (0.54) POLBTDP1APEX1HTTALDH1A1
SCHEMBL10398142 0.84 MAPT (0.44) POLBTDP1APEX1HTTTHRB
SCHEMBL2033775 0.84 KDM4E (0.58) TDP1ALDH1A1KDM4ETSHRHPGD
SCHEMBL29791099 0.84 KDM4E (0.58) TDP1ALDH1A1KDM4ETSHRHPGD
SCHEMBL12458556 0.83 THRB (0.44) POLBTDP1APEX1HTTTHRB

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 POLB 3994/4885TDP1 3020/4885APEX1 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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