SCHEMBL5989865

SCHEMBL5989865

CCN1CCCCC1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAOB P27338 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC6A9 P48067 1/20 0.30
ATM Q13315 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
SCHEMBL5988537 0.93 ALDH1A1 (0.35) ALDH1A1SLC6A9
SCHEMBL23717637 0.93 ALDH1A1 (0.35) ALDH1A1SLC6A9
SCHEMBL10215970 0.93 ALDH1A1 (0.35) ALDH1A1SLC6A9
SCHEMBL13215317 0.84 HSD11B1 (0.31)
SCHEMBL10264359 0.83 MAOB (0.32) MAOBHRH3
SCHEMBL10172777 0.83 GBA1 (0.37) MAOBHRH3
SCHEMBL24437087 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL13085461 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL23251451 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL10172780 0.80 GBA2 (0.40) MAOBHRH3

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
CN-104080880-B For the ionic liquid cooled down in hot environment 普罗伊奥尼克有限公司 2017-07-25 CN disclosed
CN-104080730-B Ionic liquid is used for the purposes for storing hydrogen 普罗伊奥尼克有限公司 2017-03-29 CN disclosed
CN-104080730-A Use of an ionic liquid for storing hydrogen VTU HOLDING GMBH 2014-10-01 CN disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (5 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAOB 3191/4885HRH3 3604/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAOB 3191/4885HRH3 3604/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 2737/4885MAOB 1349/4885HRH3 71/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A ALDH1A1 511/4885MAOB 2048/4885HRH3 3286/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAOB 3191/4885HRH3 3604/4885

“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.