SCHEMBL16640758

SCHEMBL16640758

CC(C)(C)C(=O)CCCCCCC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.48
CES1 P23141 10/20 0.48
CES2 O00748 5/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL16722811 1.00 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL18751671 1.00 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19163900 1.00 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL13661862 1.00 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL12247043 1.00 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16640759 0.97 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5021516 0.90 FAAH (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23052919 0.89 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL22525240 0.89 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL13246772 0.89 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-10017556-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2018-04-26 US disclosed
US-9889205-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-13 US disclosed
US-9884125-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170254798-A1 METHOD FOR SCREENING DRUG-SACCHARIDE CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-09-07 US disclosed
US-20170248580-A1 METHOD FOR SCREENING DRUG-SACCHARIDE CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-08-31 US disclosed
US-20170119907-A1 Targeted Therapeutics MEDIVATION TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-09-01 US disclosed
US-9427475-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME LLC 2015-04-16 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 (9 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-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FAAH 4547/4885CES1 871/4885CES2 974/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FAAH 4668/4885CES1 854/4885CES2 876/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FAAH 4675/4885CES1 1190/4885CES2 1207/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 FAAH 2626/4885CES1 1697/4885CES2 2734/4885
US-20170119907-A1 Targeted Therapeutics ANXA3, ANXA5, ANXA6 FAAH 3179/4885CES1 3839/4885CES2 2041/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 FAAH 2626/4885CES1 1697/4885CES2 2734/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 FAAH 2626/4885CES1 1697/4885CES2 2734/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 FAAH 2626/4885CES1 1697/4885CES2 2734/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FAAH 4668/4885CES1 854/4885CES2 876/4885

“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.