SCHEMBL19497942

SCHEMBL19497942

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OCC)cc3)c(C=N)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RARB P10826 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 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
SCHEMBL19757188 0.94 HTT (0.40) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL19497943 0.92 ALDH1A1 (0.40) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL18200278 0.91 MAPT (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19497864 0.90 MAPT (0.45) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19497859 0.88 MAPT (0.45) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL19352701 0.85 HTT (0.41) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL12768674 0.85 NPC1 (0.50) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL13427464 0.84 LMNA (0.53) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL13531298 0.84 LMNA (0.53) ALDH1A1NPC1LMNANFKB1NFKB2
SCHEMBL12768714 0.84 LMNA (0.53) ALDH1A1NPC1LMNANFKB1NFKB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723952-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2020-07-28 — — US disclosed
US-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 — — US disclosed
US-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 — — US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 — — US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 — — 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 (2 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-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY SMC4, PHOSPHO1, SMCHD1 ALDH1A1 2761/4885NPC1 2476/4885LMNA 1080/4885
US-10723952-B2 Polymerizable compound and optically anisotropic body SMC4, SMCHD1, PHOSPHO1 ALDH1A1 2788/4885NPC1 2359/4885LMNA 1073/4885

“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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