SCHEMBL6403494

SCHEMBL6403494

CCCCCCCCCCCCOC(=O)C(C)(C)CN

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ CES2 O00748 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ACHE P22303 4/20 0.42

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
SCHEMBL12083081 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL17151524 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10349281 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL12858360 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2680512 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2681108 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10050676 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10141464 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10141466 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10040883 0.85 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230194983-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2023-06-22 — — US disclosed
US-10172833-B2 Sublingual ondansetron spray INSYS DEVELOPMENT COMPANY, INC. (US) 2019-01-08 — — US disclosed
WO-2018031292-A1 SUBLINGUAL ONDANSETRO SPRAY INSYS DEVELOPMENT COMPANY, INC. (US) 2018-02-15 — — WO disclosed
WO-2017205710-A1 SUBLINGUAL FENTANYL FORMULATIONS CONTAINING A PERMEATION ENHANCER INSYS DEVELOPMENT COMPANY, INC. (US) 2017-11-30 — — WO disclosed
US-20170340557-A1 SUBLINGUAL FENTANYL FORMULATIONS CONTAINING A PERMEATION ENHANCER INSYS DEV CO INC (US) 2017-11-30 — — US disclosed
US-20170042861-A1 Sublingual Ondansetron Spray BENUVIA OPERATIONS, LLC 2017-02-16 — — US disclosed
US-20050032900-A1 Ibuprofen salt emulsifiers and cream formulations containing same MACROCHEM CORPORATION 2005-02-10 — — US disclosed
EP-1432405-A1 IBUPROFEN SALT EMULSIFIERS AND CREAM FORMULATIONS CONTAINING SAME MacroChem Corporation (US) 2004-06-30 — — EP disclosed
WO-2003028702-A1 IBUPROFEN SALT EMULSIFIERS AND CREAM FORMULATIONS CONTAINING SAME MACROCHEM CORPORATION (US) 2003-04-10 — — WO 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 (4 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-20170042861-A1 Sublingual Ondansetron Spray SLC6A4, SLC6A2, SLC6A3 NAAA 981/4885HTR2C 31/4885EPHX1 1894/4885
US-20230194983-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE RER1, TERB1, TRRAP NAAA 769/4885HTR2C 4507/4885EPHX1 265/4885
US-20050032900-A1 Ibuprofen salt emulsifiers and cream formulations containing same ALOX12, NAPEPLD, ACMSD NAAA 465/4885HTR2C 3836/4885EPHX1 175/4885
US-10172833-B2 Sublingual ondansetron spray SLC6A4, SLC6A2, SLC6A3 NAAA 981/4885HTR2C 31/4885EPHX1 1894/4885

“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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