SCHEMBL2541852

SCHEMBL2541852

CCC([O])C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.40
ALOX15 P16050 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TRPA1 O75762 1/20 0.33
FAAH O00519 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 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
SCHEMBL2535165 0.85 MAPT (0.41) TSHRLMNAALOX15ALDH1A1TRPA1
SCHEMBL9681621 0.80 TSHR (0.40) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL28897693 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL6063173 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL580557 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL17617132 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL13541326 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL684789 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL1866475 0.79 TSHR (0.43) TSHRLMNAALOX15HCAR2ALDH1A1
SCHEMBL3420611 0.77 TSHR (0.42) TSHRLMNA

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
EP-1982978-B1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-08-27 EP disclosed
US-8076487-B2 Pyridone derivative and herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-13 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100222592-A1 Pyridone Derivative and Herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-02 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 TSHR 226/4885LMNA 3909/4885ALOX15 1450/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 TSHR 223/4885LMNA 3913/4885ALOX15 1059/4885
US-20100222592-A1 Pyridone Derivative and Herbicide PDXK, PNPO, CBR3 TSHR 2120/4885LMNA 3316/4885ALOX15 2601/4885

“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.