SCHEMBL3475663

SCHEMBL3475663

C[CH]COC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
EPHX1 P07099 1/20 0.32
ACHE P22303 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6381808 1.00 NPC1 (0.40) NPC1EPHX1ACHECA1CA2
SCHEMBL6385107 1.00 NPC1 (0.40) NPC1EPHX1ACHECA1CA2
SCHEMBL6384602 0.97
SCHEMBL6381701 0.92
SCHEMBL6381377 0.87
SCHEMBL3934784 0.81 NPC1 (0.38) NPC1EPHX1
SCHEMBL3938218 0.81 NPC1 (0.38) NPC1EPHX1
SCHEMBL5267759 0.81 NPC1 (0.38) NPC1EPHX1
SCHEMBL3936302 0.78 NPC1 (0.34) NPC1
SCHEMBL6385032 0.78 NPC1 (0.48) NPC1EPHX1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183603-A Phosphorous release agent, including its optics polymerizable composition, polymerizable composition and preparation method thereof SKC株式会社 2019-08-30 CN claimed
CN-110183603-A Phosphorous release agent, including its optics polymerizable composition, polymerizable composition and preparation method thereof SKC株式会社 2019-08-30 CN disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed
EP-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-6232470-B1 AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
CN-1244865-A Substituted pyrazole-3-yl benzazoles BASF AK (DE) 2000-02-16 CN 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH NPC1 337/4885EPHX1 1095/4885ACHE 356/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH NPC1 337/4885EPHX1 1095/4885ACHE 356/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH NPC1 337/4885EPHX1 1095/4885ACHE 356/4885

“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.