SCHEMBL197128

SCHEMBL197128

COC(=O)C(CC(C)C)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.42
CA14 Q9ULX7 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
ATM Q13315 1/20 0.35
BIRC2 Q13490 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL197129 1.00 MME (0.42) MMECA14CA12CA7CA9
SCHEMBL18993921 0.83 MME (0.40) MMECA14CA12CA7CA9
SCHEMBL3015762 0.83 MME (0.40) MMECA14CA12CA7CA9
Hydrochloric Acid SCHEMBL30901054 0.82 MME (0.39) MMECA14CA12CA7CA9
SCHEMBL26205798 0.81 TSHR (0.36) MMECHRNB2CHRNA4
SCHEMBL10367281 0.81 CHRNB2 (0.33) MMECHRNB2CHRNA4
SCHEMBL26205780 0.81 TSHR (0.36) MMECHRNB2CHRNA4
SCHEMBL196404 0.81 ALDH1A1 (0.37) CA12CA9SMN1; SMN2CHRNB2CHRNA4
SCHEMBL10367282 0.81 CHRNB2 (0.33) MMECHRNB2CHRNA4
SCHEMBL196403 0.81 ALDH1A1 (0.37) CA12CA9SMN1; SMN2CHRNB2CHRNA4

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-20230096494-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-03-30 US disclosed
US-11535576-B2 Carbonyl containing compound high-throughput quantitative analysis using isobaric multiplex reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-12-27 US disclosed
US-20190225559-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-07-25 US disclosed
US-9603943-B2 Polyesteramide platform for site specific drug delivery ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2017-03-28 US disclosed
WO-2013062947-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-02 WO disclosed
US-8158330-B2 Resist protective coating composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-17 US disclosed
US-8088537-B2 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20090286182-A1 RESIST PROTECTIVE COATING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090197200-A1 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-06 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 (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-11535576-B2 Carbonyl containing compound high-throughput quantitative analysis using isobaric multiplex reagents MCCC2, FABP4, FABP5 MME 1038/4885CA14 108/4885CA12 181/4885
US-20230096494-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis FABP4, MCCC2, FABP5 MME 946/4885CA14 125/4885CA12 186/4885
US-20190225559-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis FABP4, MCCC2, FABP5 MME 946/4885CA14 125/4885CA12 186/4885

“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.