SCHEMBL18751670

SCHEMBL18751670

CC(C)(C)C(=O)COCCOCC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
VDR P11473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL26353810 0.97 CES2 (0.42) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL25725933 0.97 CES2 (0.42) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL6840501 0.91 CES2 (0.38) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL10001210 0.91 CES2 (0.38) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL17208236 0.91 ALDH1A1 (0.46) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL17516305 0.89 CES2 (0.37) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL6840509 0.89 CES2 (0.37) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL12592823 0.89 CES2 (0.37) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL18651066 0.89 MEN1 (0.48) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL17913990 0.89 CES2 (0.46) CES2MAPK1ALDH1A1HTTVDR

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 8 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-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20230295610-A1 DNA-ENCODED COMPOUND LIBRARY AND SCREENING METHOD THEREOF HITGEN INC (CN) 2023-09-21 US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 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-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 (6 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-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL CES2 2168/4885MAPK1 2131/4885ALDH1A1 1066/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CES2 2734/4885MAPK1 3170/4885ALDH1A1 4716/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG CES2 1781/4885MAPK1 3462/4885ALDH1A1 1201/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CES2 2734/4885MAPK1 3170/4885ALDH1A1 4716/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CES2 2734/4885MAPK1 3170/4885ALDH1A1 4716/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CES2 2734/4885MAPK1 3170/4885ALDH1A1 4716/4885

“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.