SCHEMBL12730758

SCHEMBL12730758

O=C(Oc1ccc(OCCCCCCOCC2CO2)cc1)C1CCC2OC2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ S1PR5 Q9H228 7/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ S1PR1 P21453 5/20 0.33
▸ S1PR3 Q99500 4/20 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
SCHEMBL12730757 0.99 TSHR (0.41) TSHRTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL12730798 0.96 TSHR (0.38) TSHRTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL12730788 0.93 NPC1 (0.38) TSHRALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12730765 0.93 NPC1 (0.38) TSHRALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12730755 0.86 HTT (0.38) TDP1ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12730820 0.86 TSHR (0.34) TSHRTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL12730806 0.85 HRH3 (0.37) TDP1SMN1; SMN2KMT2AHTTHRH3
SCHEMBL12730824 0.84 ELANE (0.33) TSHRTDP1SMN1; SMN2KMT2AHTT
SCHEMBL12730706 0.83 HTT (0.42) TDP1ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL12730787 0.81 NPC1 (0.38) TDP1ALDH1A1SMN1; SMN2KMT2AHTT

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 TSHR 3371/4885TDP1 3038/4885ALDH1A1 926/4885

“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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