SCHEMBL21962885

SCHEMBL21962885

CC(C)[C@H]1CC(=O)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL9908380 1.00 TSHR (0.41) TSHRKMT2ACYP19A1ALDH1A1POLB
SCHEMBL19360123 0.84 TSHR (0.40) TSHRKMT2ACYP19A1ALDH1A1POLB
SCHEMBL17860025 0.83 TSHR (0.39) TSHRKMT2ACYP19A1ALDH1A1POLB
SCHEMBL20809974 0.79 TSHR (0.37) TSHRKMT2ACYP19A1ALDH1A1POLB
SCHEMBL20650777 0.78
SCHEMBL21557930 0.78 TLR4 (0.33) TSHRKMT2ACYP19A1MAPK1KDM4E
SCHEMBL19601273 0.78 POLB (0.39) TSHRKMT2ACYP19A1ALDH1A1POLB
SCHEMBL18522793 0.77 ALDH1A1 (0.33) ALDH1A1MAPK1MAPTMCOLN3
SCHEMBL20034793 0.77 KMT2A (0.35) TSHRKMT2ACYP19A1ALDH1A1POLB
SCHEMBL8375036 0.76 MMP1 (0.33) TSHRALDH1A1POLBMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4115909-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-01-11 EP disclosed
US-10633448-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2020-04-28 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 (1 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-10633448-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 TSHR 499/4885KMT2A 2876/4885CYP19A1 774/4885

“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.