SCHEMBL10308347

SCHEMBL10308347

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

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
FAAH O00519 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13078322 0.81 ALDH1A1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10308682 0.81 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12413761 0.77 TSHR (0.39) TSHRMAPTSMN1; SMN2
SCHEMBL7523181 0.77 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL876828 0.77 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7524444 0.77 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL779893 0.75 MAPT (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1216964 0.75 MAPT (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL20296911 0.75 PRKCA (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2980611 0.75 MAPT (0.43) 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 7 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-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2012-07-19 US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 US disclosed
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC 2011-02-03 US disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 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 (7 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 TSHR 4162/4885CHRM2 3182/4885CHRM4 3282/4885
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 TSHR 1230/4885CHRM2 527/4885CHRM4 524/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 TSHR 3611/4885CHRM2 1386/4885CHRM4 1190/4885
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 TSHR 1230/4885CHRM2 527/4885CHRM4 524/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA TSHR 3582/4885CHRM2 1866/4885CHRM4 1706/4885
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF VIP, TRPV1, LNPEP TSHR 3269/4885CHRM2 1459/4885CHRM4 1081/4885
US-20110065796-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.