SCHEMBL19757188

SCHEMBL19757188

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C=C)cc4)cc3C=N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NFKB1 P19838 3/20 0.39
▸ NFKB2 Q00653 3/20 0.39
▸ RELA Q04206 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ ACR P10323 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ APEX1 P27695 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
SCHEMBL19497942 0.94 ALDH1A1 (0.40) HTTNPC1LMNANFKB1NFKB2
SCHEMBL18200278 0.91 MAPT (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19352701 0.91 HTT (0.41) HTTNPC1LMNANFKB1NFKB2
SCHEMBL19497864 0.90 MAPT (0.45) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19497859 0.88 MAPT (0.45) NPC1LMNANFKB1NFKB2RELA
SCHEMBL18328867 0.87 PTPN11 (0.46) HTTNPC1LMNANFKB1NFKB2
SCHEMBL15478710 0.87 HTT (0.42) HTTNPC1LMNANFKB1NFKB2
SCHEMBL19497943 0.85 ALDH1A1 (0.40) HTTNPC1LMNANFKB1NFKB2
SCHEMBL19792473 0.85 HTT (0.39) HTTNPC1LMNANFKB1NFKB2
SCHEMBL19844183 0.85 THRB (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 — — US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 — — US disclosed
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2017-12-28 — — 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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 HTT 1451/4885NPC1 4194/4885LMNA 637/4885
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT VIM, SMCHD1, SMC4 HTT 410/4885NPC1 3002/4885LMNA 1275/4885

“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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