SCHEMBL4945544

SCHEMBL4945544

O=[C]OC1(C(=O)OC23CC4CC(CC(C4)C2)C3)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 2/20 0.33
CA2 P00918 1/20 0.32
NAAA Q02083 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HSD11B1 P28845 1/20 0.30
EPHX2 P34913 1/20 0.30
CYP17A1 P05093 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
SCHEMBL8377587 0.98 CYP19A1 (0.33) ALDH1A1L3MBTL1CYP19A1CA2NAAA
SCHEMBL645146 0.73 CYP19A1 (0.36) CYP19A1SCN1ASCN2ASCN3A
SCHEMBL9052834 0.71 CYP19A1 (0.33) CYP19A1SCN1ASCN2ASCN3A
SCHEMBL6623048 0.69 CYP2C19 (0.40)
SCHEMBL8863 0.69 NPSR1 (0.43) CYP19A1EPHX2
SCHEMBL383938 0.68 CYP2C19 (0.35)
SCHEMBL1300037 0.68 SCN1A (0.51) ALDH1A1L3MBTL1CYP19A1NAAASCN1A
SCHEMBL7183801 0.67 NPSR1 (0.39) ALDH1A1CYP19A1CA2NAAASCN1A
SCHEMBL5677016 0.67 TSHR (0.31)
SCHEMBL10922421 0.67 SMN1; SMN2 (0.36) ALDH1A1L3MBTL1

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-0048573-B1 POLYPEPTIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-01 EP claimed
US-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBVIE INC. 2008-06-12 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-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS SERPINB1, PREP, DNPEP ALDH1A1 3021/4885L3MBTL1 1673/4885CYP19A1 1733/4885

“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.