SCHEMBL5757425

SCHEMBL5757425

C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3CC[C@](O)(C(=O)C(O)CC(=O)O)[C@@]3(C)C[C@@H]3O[C@@]312

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HIF1A Q16665 8/20 0.42
NR3C1 P04150 8/20 0.42
LMNA P02545 5/20 0.42
CYP3A4 P08684 4/20 0.42
PGR P06401 4/20 0.42
NR1I2 O75469 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.42
AR P10275 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ABCB11 O95342 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5756849 0.85 NR3C1 (0.51) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL6650812 0.85 NR3C1 (0.51) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL5756363 0.85 NR3C1 (0.51) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL10940163 0.85 KDM4E (0.70) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL10940157 0.85 KDM4E (0.70) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL5758525 0.84 KDM4E (0.72) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL11310944 0.81 HIF1A (0.56) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL11310956 0.81 HIF1A (0.56) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL6241434 0.78 KDM4E (0.46) KDM4EHIF1ANR3C1LMNACYP3A4
SCHEMBL6241705 0.78 KDM4E (0.46) KDM4EHIF1ANR3C1LMNACYP3A4

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 4594/4885HIF1A 2400/4885NR3C1 65/4885

“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.