SCHEMBL30278681

SCHEMBL30278681

C=CCOC(=O)N1CCOC[C@H]1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ERN1 O75460 3/20 0.39
ENPP2 Q13822 1/20 0.36
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TYK2 P29597 1/20 0.33
CHRM1 P11229 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
TSHR P16473 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9382048 0.86 CA12 (0.35) CYP19A1ERN1CA12CA1CA2
SCHEMBL9382425 0.85 FKBP1A (0.39) CYP19A1ERN1CA12CA1CA2
SCHEMBL2769691 0.82 CYP19A1 (0.48) CYP19A1ERN1GAASIGMAR1CHRM1
SCHEMBL20101960 0.81 CYP19A1 (0.36) CYP19A1ERN1SIGMAR1CHRM1PDK1
SCHEMBL15561497 0.80 RAB9A (0.50) ENPP2GAACA12CA1CA2
SCHEMBL18039979 0.80 RECQL (0.44) CYP19A1ERN1TSHRMMP1MMP3
SCHEMBL9196661 0.80 POLB (0.47) CYP19A1ERN1FKBP1A
SCHEMBL10517780 0.80 POLB (0.47) CYP19A1ERN1FKBP1A
SCHEMBL13005026 0.80 POLB (0.47) CYP19A1ERN1FKBP1A
SCHEMBL20101959 0.79 SIGMAR1 (0.33) CYP19A1ERN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 CYP19A1 2918/4885ERN1 3705/4885ENPP2 2429/4885

“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.