SCHEMBL14087828

SCHEMBL14087828

CC(=O)OC(C)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM1 P11229 2/20 0.50
TBXA2R P21731 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
GALR3 O60755 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
ALOX15 P16050 1/20 0.36
TRPV1 Q8NER1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
KCNH2 Q12809 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 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
SCHEMBL14087829 1.00 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18651113 0.86 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2721450 0.84 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14991579 0.83 TSHR (0.32) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19225324 0.82 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15424302 0.82 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11763525 0.82 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17710616 0.82 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28609344 0.81 TSHR (0.31) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16254842 0.80 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170025230-A1 BINDER FOR ELECTRIC DOUBLE-LAYER CAPACITOR ELECTRODE, ELECTRIC DOUBLE-LAYER CAPACITOR ELECTRODE COMPRISING SAME BINDER, ELECTRIC DOUBLE-LAYER CAPACITOR USING SAME ELECTRODE, AND ELECTRIC APPARATUS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2017-01-26 US disclosed
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields THE UNIVERSITY OF NOTTINGHAM 2008-09-18 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 (1 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-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields ADH5, ADH1C, CYP2E1 TSHR 3877/4885CHRM2 1383/4885CHRM4 800/4885

“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.