SCHEMBL10308682

SCHEMBL10308682

CC(=O)OC(C)CC(=O)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 0.41
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL10308347 0.81 TSHR (0.31) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5949295 0.80 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7249516 0.80 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10309227 0.78 ALOX15 (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4683182 0.78 ALOX15 (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3118875 0.76 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL22230839 0.76 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5197507 0.76 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11151140 0.76 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9700803 0.75

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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 TSHR 3611/4885CHRM2 1386/4885CHRM4 1190/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA TSHR 3582/4885CHRM2 1866/4885CHRM4 1706/4885

“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.