SCHEMBL6534683

SCHEMBL6534683

CC(C)(C)OC(=O)CN(CCCN)CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.34
CYP1A2 P05177 1/20 0.33
NR1H3 Q13133 1/20 0.32
CA14 Q9ULX7 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7801946 0.95 NR1D1 (0.33) NR1D1CYP1A2NR1H3
SCHEMBL422349 0.93 CHRM2 (0.36) NR1D1CYP1A2NR1H3CA14HDAC1
SCHEMBL2185396 0.89 NR1D1 (0.35) NR1D1NR1H3CA14CA12CA1
SCHEMBL7564036 0.88 NR1D1 (0.36) NR1D1NR1H3CA14CA12CA1
Hydrochloric Acid SCHEMBL6840742 0.87 NR1D1 (0.34) NR1D1NR1H3CA14CA12CA1
SCHEMBL8412077 0.85 NR1D1 (0.34) NR1D1NR1H3CA14CA12CA1
SCHEMBL18362362 0.85 NR1D1 (0.33) NR1D1NR1H3CA14CA12CA1
SCHEMBL2185399 0.82 TDP1 (0.43) NR1D1NR1H3CA1
SCHEMBL21548073 0.82 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL19458 0.82 TDP1 (0.42) NR1D1NR1H3CA14CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223281-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2025-07-10 US disclosed
US-20250073338-A1 CONJUGATE COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2025-03-06 US disclosed
EP-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP disclosed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO 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 (2 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-20250223281-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS GPR119, GLP1R, GPR65 NR1D1 133/4885CYP1A2 1060/4885NR1H3 92/4885
US-20250073338-A1 CONJUGATE COMPOUNDS AND COMPOSITIONS GPR119, GPR65, GPR55 NR1D1 385/4885CYP1A2 971/4885NR1H3 89/4885

“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.