SCHEMBL12730674

SCHEMBL12730674

Cc1cc(OCCCCCCOC(=O)C2CCC3OC3C2)ccc1C(=O)Oc1ccc(OCCCCCCOC(=O)C2CCC3OC3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.38
▸ THRA P10827 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ MAOB P27338 5/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL12730688 0.85 KMT2A (0.38) HRH3KDM4ESMN1; SMN2HTTKCNH2
SCHEMBL12730658 0.83 THRB (0.39) THRBTHRAHRH3KDM4EPOLB
SCHEMBL12730682 0.83 LSS (0.38) HRH3MAOB
SCHEMBL12730713 0.83 NPC1 (0.40) HRH3KDM4ESMN1; SMN2HTTKCNH2
SCHEMBL258830 0.75 PPM1B (0.41) KDM4ETSHR
SCHEMBL13410641 0.75 PPM1B (0.41) KDM4ETSHR
SCHEMBL13410643 0.75 PPM1B (0.41) KDM4ETSHR
SCHEMBL14534626 0.75 PPM1B (0.41) KDM4ETSHR
SCHEMBL13294281 0.75 PPM1B (0.41) KDM4ETSHR
SCHEMBL258872 0.75 PPM1B (0.41) KDM4ETSHR

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-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 — — 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-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 THRB 4614/4885THRA 3767/4885HRH3 203/4885

“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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