SCHEMBL18200278

SCHEMBL18200278

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ THRB P10828 5/20 0.43
▸ PTPN11 Q06124 2/20 0.39
▸ 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
▸ PRSS1 P07477 1/20 0.38
▸ ACR P10323 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RARB P10826 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 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
SCHEMBL19497864 0.99 MAPT (0.45) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19497859 0.97 MAPT (0.45) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19497907 0.92 MAPT (0.45) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19497953 0.91 MAPT (0.46) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19497942 0.91 ALDH1A1 (0.40) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19757188 0.91 HTT (0.40) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19497950 0.90 MAPT (0.46) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19771140 0.89 THRB (0.46) THRBPTPN11LMNACYP3A4RARB
SCHEMBL18904643 0.89 MAPT (0.37) MAPTSMN1; SMN2THRBPTPN11NPC1
SCHEMBL19505092 0.88 PTPN11 (0.40) MAPTSMN1; SMN2THRBPTPN11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345939-B1 POWDER MIXTURE DAINIPPON INK & CHEMICALS (JP) 2020-10-14 — — EP disclosed
US-10723952-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2020-07-28 — — US disclosed
US-10473820-B2 Compound containing mesogenic group, and mixture, composition, and optically anisotropic body using said compound DIC CORPORATION (JP) 2019-11-12 — — US disclosed
EP-3246340-B1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DAINIPPON INK & CHEMICALS (JP) 2019-10-09 — — EP disclosed
EP-3345939-A1 POWDER MIXTURE DIC Corporation (JP) 2018-07-11 — — EP disclosed
US-20180066189-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-03-08 — — 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-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2017-12-28 — — US disclosed
EP-3246340-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC Corporation (JP) 2017-11-22 — — EP 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
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 — — US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 — — US disclosed
EP-3088426-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC Corporation (JP) 2016-11-02 — — EP 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 (3 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 MAPT 21/4885SMN1; SMN2 1598/4885THRB 4883/4885
US-10723952-B2 Polymerizable compound and optically anisotropic body SMC4, SMCHD1, PHOSPHO1 MAPT 17/4885SMN1; SMN2 1468/4885THRB 4884/4885
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT VIM, SMCHD1, SMC4 MAPT 18/4885SMN1; SMN2 2562/4885THRB 4851/4885

“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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