SCHEMBL12567461

SCHEMBL12567461

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)CC)c(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL12567532 0.93 THRB (0.45) HTTL3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL12567464 0.92 CYP3A4 (0.47) L3MBTL1ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL12567471 0.91 CYP3A4 (0.47) L3MBTL1ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8913479 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8913467 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8914045 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8915738 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8914879 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8913468 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8914125 0.88 HTT (0.40) HTTALDH1A1TSHRCYP3A4MAPK1

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
US-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 — — US disclosed
US-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER CHISSO CORPORATION (JP) 2011-06-23 — — 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-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER SSB, LEF1, UACA HTT 2689/4885L3MBTL1 335/4885ALDH1A1 2760/4885

“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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