SCHEMBL17800114

SCHEMBL17800114

CC[C@@H]1CCCC[C@@H]1CC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
SHBG P04278 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CYP1A2 P05177 2/20 0.35
CHRNB2 P17787 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL30412577 1.00 CA1 (0.43) CA1CA2CA4SHBGNOS3
SCHEMBL135551 1.00 CA1 (0.43) CA1CA2CA4SHBGNOS3
SCHEMBL28167378 0.96 CA1 (0.42) CA1CA2CA4SHBGNOS3
SCHEMBL11474625 0.96 CA1 (0.42) CA1CA2CA4SHBGNOS3
SCHEMBL28167323 0.96 CA1 (0.42) CA1CA2CA4SHBGNOS3
SCHEMBL16191148 0.93 CA1 (0.46) CA1CA2CA4SHBGNOS3
SCHEMBL2688489 0.92
SCHEMBL11689682 0.92
SCHEMBL11687417 0.92
SCHEMBL16191185 0.90 CA1 (0.39) CA1CA2CA4SHBGNOS3

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-11840610-B2 Compositions and methods for the degradation of waste polypropylene NOVOLOOP, INC. (US) 2023-12-12 US claimed
CN-115210310-A Composition and method for waste polypropylene degradation 诺弗洛普有限公司 2022-10-18 CN claimed
CN-115210310-A Composition and method for waste polypropylene degradation 诺弗洛普有限公司 2022-10-18 CN disclosed
US-10906033-B2 Synthesis and application of chiral substituted polyvinylpyrrolidinones KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-02-02 US disclosed
US-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2020-10-01 US disclosed
US-9862657-B2 Methods for selectively hydrogenating substituted arenes with supported organometallic catalysts UOP LLC (US) 2018-01-09 US disclosed
US-20160159709-A1 METHODS FOR SELECTIVELY HYDROGENATING SUBSTITUTED ARENES WITH SUPPORTED ORGANOMETALLIC CATALYSTS NORTHWESTERN UNIVERSITY 2016-06-09 US disclosed
CN-101504399-B Qualitative and quantitative analysis method for hydrogenated tail-oil long and straight side chain cycloparaffin and alkylbenzene BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2011-12-07 CN disclosed
CN-101504399-A Qualitative and quantitative analysis method for hydrogenated tail-oil long and straight side chain cycloparaffin and alkylbenzene UNIV BEIJING CHEMICAL (CN) 2009-08-12 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-20160159709-A1 METHODS FOR SELECTIVELY HYDROGENATING SUBSTITUTED ARENES WITH SUPPORTED ORGANOMETALLIC CATALYSTS HPSE, TST, STS CA1 124/4885CA2 229/4885CA4 168/4885
US-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES POLRMT, CNBP, DHPS CA1 2746/4885CA2 3039/4885CA4 2228/4885
US-10906033-B2 Synthesis and application of chiral substituted polyvinylpyrrolidinones POLRMT, CNBP, DHPS CA1 2746/4885CA2 3039/4885CA4 2228/4885

“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.