SCHEMBL14984597

SCHEMBL14984597

C=CC(=O)OCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(OC(=O)C=C)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.41
▸ THRB P10828 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RARB P10826 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL815664 0.94 HTT (0.42) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837992 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837959 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837944 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838123 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837960 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838129 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838000 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838096 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837942 0.94 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR

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-9073850-B2 Polymerizable compound JNC CORPORATION (JP) 2015-07-07 — — US disclosed
US-9073850-B2 Polymerizable compound JNC CORPORATION (JP) 2015-07-07 — — US disclosed
US-20130134354-A1 POLYMERIZABLE COMPOUND JNC PETROCHEMICAL CORPORATION (JP) 2013-05-30 — — US disclosed
US-20130134354-A1 POLYMERIZABLE COMPOUND JNC PETROCHEMICAL CORPORATION (JP) 2013-05-30 — — 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-20130134354-A1 POLYMERIZABLE COMPOUND CCNA1, H1-2, CCNT1 HTT 2138/4885THRB 4827/4885CYP3A4 1441/4885

“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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