SCHEMBL601146

SCHEMBL601146

COC(COCCO)NC(COCCO)OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2961810 0.96 MEN1 (0.46) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3505033 0.73 TSHR (0.45) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10609143 0.71
SCHEMBL123698 0.71
SCHEMBL10310919 0.71 LPAR1 (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL25904028 0.71 LPAR1 (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5531243 0.70 MEN1 (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL515809 0.70
SCHEMBL30380499 0.70 MEN1 (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL19749216 0.70 LPAR1 (0.42) TSHRMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9068137-B2 Water-mixed metal working fluids containing ether pyrrolidone carboxylic acids CLARIANT FINANCE (BVI) LIMITED (VG) 2015-06-30 US disclosed
US-8759264-B2 Water-based hydraulic fluids comprising dithio-di(aryl carbolic acids) CLARIENT FINANCE (BVI) LIMITED (VG) 2014-06-24 US disclosed
US-20120088706-A1 WATER-MIXED METAL WORKING FLUIDS CONTAINING ETHER PYRROLIDONE CARBOXYLIC ACIDS CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
US-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
US-20120088698-A1 WATER IN OIL EMULSION, METHOD FOR THE PRODUCTION THEREOF CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
US-20120040875-A1 Water-Based Hydraulic Fluids Comprising Dithio-Di(Aryl Carbolic Acids) CLARIANT FINANCE (BVI) LIMITED (VG) 2012-02-16 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 (2 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-20120088698-A1 WATER IN OIL EMULSION, METHOD FOR THE PRODUCTION THEREOF H1-0, H1-3, H1-2 TSHR 2697/4885MAPK1 2779/4885ALDH1A1 4100/4885
US-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME F12, ADH1A, ADH1C TSHR 3690/4885MAPK1 1451/4885ALDH1A1 241/4885

“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.