SCHEMBL4221189

SCHEMBL4221189

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C34OC4C[C@]2(C)[C@@]1(O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.67
KDM4E B2RXH2 1/20 0.61
HIF1A Q16665 7/20 0.54
CYP3A4 P08684 6/20 0.54
NFKB1 P19838 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ABCB11 O95342 2/20 0.54
TSHR P16473 2/20 0.54
PGR P06401 2/20 0.54
AR P10275 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
APEX1 P27695 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL13928662 1.00 NR3C1 (0.67) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL4221187 1.00 NR3C1 (0.67) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL27734606 1.00 NR3C1 (0.67) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL12396686 1.00 NR3C1 (0.67) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL27649696 0.92 KDM4E (0.61) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL10497112 0.92 KDM4E (0.61) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL10497119 0.92 KDM4E (0.61) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL11747686 0.92 KDM4E (0.61) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL12396656 0.90 KDM4E (0.71) NR3C1KDM4EHIF1ACYP3A4NFKB1
SCHEMBL4217804 0.90 KDM4E (0.71) NR3C1KDM4EHIF1ACYP3A4NFKB1

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
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 NR3C1 37/4885KDM4E 2871/4885HIF1A 1534/4885

“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.