SCHEMBL13778182

SCHEMBL13778182

CC(C)(C)c1ccc(CCSCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ RXRG P48443 1/20 0.51
▸ SLC13A5 Q86YT5 2/20 0.50
▸ CYP2C19 P33261 2/20 0.49
▸ ESRRG P62508 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL13778164 0.85 CYP2C19 (0.64) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL13778181 0.85 MMP12 (0.61) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL846131 0.83 NR1H4 (0.71) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL13870215 0.81 FFAR1 (0.56) CYP2C19LMNAKMT2AHSD17B10TDP1
SCHEMBL9260063 0.81 CYP2C19 (0.71) CYP2C19LMNAKMT2AHSD17B10TDP1
SCHEMBL1453852 0.80 NR1H4 (0.73) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL25226845 0.78 FFAR1 (0.56) CYP2C19LMNAKMT2AHSD17B10TDP1
SCHEMBL10533225 0.78 NR1H4 (0.67) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL951875 0.78 USP2 (0.54) CYP2C19LMNAKMT2AHSD17B10TDP1
SCHEMBL22461378 0.77 ALDH1A1 (0.51) CYP2C19NPC1RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10985406-B2 All solid-state secondary battery, electrode sheet for battery, method for manufacturing electrode sheet for battery, solid electrolyte composition, method for producing solid electrolyte composition, and method for manufacturing all solid-state secondary battery FUJIFILM CORPORATION (JP) 2021-04-20 — — US disclosed
US-20200303772-A1 ALL SOLID-STATE SECONDARY BATTERY, ELECTRODE SHEET FOR BATTERY, METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY, SOLID ELECTROLYTE COMPOSITION, METHOD FOR PRODUCING SOLID ELECTROLYTE COMPOSITION, AND METHOD FOR MANUFACTURING ALL SOLID-STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2020-09-24 — — US disclosed
US-20170133717-A1 ALL SOLID-STATE SECONDARY BATTERY, ELECTRODE SHEET FOR BATTERY, METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY, SOLID ELECTROLYTE COMPOSITION, METHOD FOR PRODUCING SOLID ELECTROLYTE COMPOSITION, AND METHOD FOR MANUFACTURING ALL SOLID-STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-05-11 — — US disclosed
US-20170133713-A1 ALL SOLID-STATE SECONDARY BATTERY, ELECTRODE SHEET FOR BATTERY, METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY, SOLID ELECTROLYTE COMPOSITION, METHOD FOR PRODUCING SOLID ELECTROLYTE COMPOSITION, AND METHOD FOR MANUFACTURING ALL SOLID-STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-05-11 — — US disclosed
US-20170133713-A1 ALL SOLID-STATE SECONDARY BATTERY, ELECTRODE SHEET FOR BATTERY, METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY, SOLID ELECTROLYTE COMPOSITION, METHOD FOR PRODUCING SOLID ELECTROLYTE COMPOSITION, AND METHOD FOR MANUFACTURING ALL SOLID-STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-05-11 — — US disclosed
US-20170133717-A1 ALL SOLID-STATE SECONDARY BATTERY, ELECTRODE SHEET FOR BATTERY, METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY, SOLID ELECTROLYTE COMPOSITION, METHOD FOR PRODUCING SOLID ELECTROLYTE COMPOSITION, AND METHOD FOR MANUFACTURING ALL SOLID-STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-05-11 — — US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 — — US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 — — 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 NR1H4 101/4885EPHX2 737/4885RXRA 177/4885

“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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