SCHEMBL5758833

SCHEMBL5758833

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@](O)(CC(=O)O)[C@](O)(C(=O)C(O)CC(=O)O)[C@@]3(C)C[C@@H]3O[C@@]312

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NR3C1 P04150 6/20 0.37
HIF1A Q16665 8/20 0.37
CYP3A4 P08684 6/20 0.37
LMNA P02545 5/20 0.37
PGR P06401 3/20 0.37
NR1I2 O75469 1/20 0.37
HSD17B10 Q99714 4/20 0.37
NFKB1 P19838 3/20 0.37
CYP2C9 P11712 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
CYP2J2 P51589 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCB11 O95342 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5758525 0.85 KDM4E (0.72) KDM4EALDH1A1MAPK1NR3C1HIF1A
SCHEMBL5757332 0.83 KDM4E (0.56) KDM4ENR3C1HIF1ACYP3A4LMNA
SCHEMBL5935168 0.83 KDM4E (0.56) KDM4ENR3C1HIF1ACYP3A4LMNA
SCHEMBL15167259 0.83 KDM4E (0.56) KDM4ENR3C1HIF1ACYP3A4LMNA
SCHEMBL9717259 0.76 KDM4E (0.51) KDM4EALDH1A1MAPK1NR3C1HIF1A
SCHEMBL9737529 0.76 KDM4E (0.50) KDM4ENR3C1HIF1ACYP3A4LMNA
SCHEMBL5650907 0.75 KDM4E (0.57) KDM4ENR3C1HIF1ACYP3A4LMNA
SCHEMBL5943277 0.74 KDM4E (0.80) KDM4EALDH1A1MAPK1NR3C1HIF1A
SCHEMBL5943274 0.74 KDM4E (0.80) KDM4EALDH1A1MAPK1NR3C1HIF1A
SCHEMBL9524808 0.73 KDM4E (0.47) KDM4ENR3C1HIF1ACYP3A4LMNA

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-20060252926-A1 Process for the preparation of pregnanes SICOR, INC. 2006-11-09 US disclosed
EP-1474435-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA FLUORINATED PREGNANES SICOR INC (US) 2006-02-22 EP disclosed
EP-1474435-A1 PROCESS FOR THE PREPARATION OF PREGNANES Sicor Inc. (US) 2004-11-10 EP disclosed
WO-2004052911-A1 PROCESS FOR THE PREPARATION OF PREGNANES SICOR INC. (US) 2004-06-24 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 (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-20060252926-A1 Process for the preparation of pregnanes CYP17A1, CYP21A2, NR5A1 KDM4E 4594/4885ALDH1A1 1775/4885MAPK1 457/4885

“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.