SCHEMBL18751689

SCHEMBL18751689

CC(C)(C)C(=O)C1CCC(C(=O)C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HBB P68871 1/20 0.31
ACE P12821 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL16886300 0.91 ACE (0.44) POLBACE
SCHEMBL13661861 0.90 BTK (0.38) HTTHSD17B10ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL18768899 0.88 POLB (0.37) POLBHTTTHRATHRBHSD17B10
SCHEMBL18751737 0.88 POLB (0.37) POLBHTTTHRATHRBHSD17B10
SCHEMBL29515941 0.88 ALDH1A1 (0.33) HSD17B10ALDH1A1HBB
SCHEMBL6140852 0.88
SCHEMBL16704552 0.88 POLB (0.37) POLBHTTTHRATHRBHSD17B10
SCHEMBL18751690 0.88 ALDH1A1 (0.33) HSD17B10ALDH1A1HBB
SCHEMBL25658422 0.87 THRA (0.32) THRATHRB
SCHEMBL14379962 0.85 CHRM2 (0.32) POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058775-B2 Insulin dimer-incretin conjugates MERCK SHARP & DOHME CORP. (US) 2021-07-13 US disclosed
US-10953076-B2 Insulin receptor partial agonists and GLP-1 analogues MERCK SHARP & DOHME CORP. (US) 2021-03-23 US disclosed
US-10800827-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-10-13 US disclosed
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-27 US disclosed
US-20190142906-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-03-28 US disclosed
US-10183981-B2 Insulin receptor partial agonists MERCK SHARP & DOHME LLC 2019-01-22 US disclosed
US-10017556-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017556-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 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 (10 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-10800827-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 POLB 3593/4885HTT 2068/4885THRA 37/4885
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES IAPP, GLP1R, GIPR POLB 4796/4885HTT 181/4885THRA 982/4885
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 POLB 3593/4885HTT 2068/4885THRA 37/4885
US-11058775-B2 Insulin dimer-incretin conjugates IAPP, GLP1R, GIPR POLB 4796/4885HTT 181/4885THRA 982/4885
US-20190142906-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES GLP1R, GIPR, IAPP POLB 4220/4885HTT 691/4885THRA 86/4885
US-10953076-B2 Insulin receptor partial agonists and GLP-1 analogues GLP1R, GIPR, IAPP POLB 4220/4885HTT 691/4885THRA 86/4885
US-10183981-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 POLB 3593/4885HTT 2068/4885THRA 37/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 POLB 3593/4885HTT 2068/4885THRA 37/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 POLB 3593/4885HTT 2068/4885THRA 37/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 POLB 3593/4885HTT 2068/4885THRA 37/4885

“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.