SCHEMBL4217804

SCHEMBL4217804

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34OC4C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
HIF1A Q16665 8/20 0.69
CYP3A4 P08684 7/20 0.69
NR3C1 P04150 6/20 0.69
NFKB1 P19838 5/20 0.69
HSD17B10 Q99714 4/20 0.69
LMNA P02545 4/20 0.69
PGR P06401 3/20 0.69
TSHR P16473 2/20 0.69
AR P10275 2/20 0.69
ABCB11 O95342 2/20 0.69
PMP22 Q01453 2/20 0.69
BLM P54132 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
MEN1 O00255 1/20 0.69
CYP2D6 P10635 1/20 0.69
KMT2A Q03164 1/20 0.69
APEX1 P27695 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69

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
SCHEMBL29355683 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL28868471 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL5262836 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL4217810 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL12396656 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL3158085 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL3158091 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL5261130 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL22414814 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1
SCHEMBL13928663 1.00 KDM4E (0.71) KDM4EHIF1ACYP3A4NR3C1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3947409-A 16-Alkyl-1,4,9(11)-pregnatrienes and 9,11-epoxides thereof MERCK & CO., INC. (US) 1976-03-30 US claimed
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
EP-2004667-B1 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCED RES CO LTD (IN) 2013-09-04 EP disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 US disclosed
US-3947409-A 16-Alkyl-1,4,9(11)-pregnatrienes and 9,11-epoxides thereof MERCK & CO., INC. (US) 1976-03-30 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 KDM4E 2871/4885HIF1A 1534/4885CYP3A4 127/4885

“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.