SCHEMBL18751676

SCHEMBL18751676

CC(C)(C)C(=O)Cc1cccc(CC(=O)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CES1 P23141 2/20 0.45
HSD11B1 P28845 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CTBP2 P56545 1/20 0.40
SLC7A5 Q01650 1/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CES2 O00748 1/20 0.38
AKR1B1 P15121 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
SCHEMBL18116097 0.92 CYP1A2 (0.57) CYP1A2CYP2C19CES1NR1H4POLB
SCHEMBL13272059 0.89 PPARG (0.40) CYP1A2CYP2C19CES1
SCHEMBL13012102 0.88 CTBP2 (0.51) CYP1A2CYP2C19CTBP2
SCHEMBL12895726 0.88 CTBP2 (0.54) CTBP2POLB
SCHEMBL23979331 0.87 CYP1A2 (0.51) CYP1A2CYP2C19NR1H4
SCHEMBL13012059 0.87 CTBP2 (0.54) CTBP2
SCHEMBL18116102 0.87 MAOA (0.44) CYP1A2CYP2C19CES1HSD11B1
SCHEMBL13012067 0.87 RIPK1 (0.50)
SCHEMBL13012094 0.85 FOLH1 (0.56) NR1H4
SCHEMBL21180513 0.85 MAOB (0.46) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206963-A1 COPOLYMER BLENDS BIOME BIOPLASTICS LIMITED (GB) 2021-07-08 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 (3 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-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CYP1A2 3000/4885CYP2C19 2775/4885CES1 1697/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CYP1A2 3000/4885CYP2C19 2775/4885CES1 1697/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CYP1A2 3000/4885CYP2C19 2775/4885CES1 1697/4885

“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.