SCHEMBL3330736

SCHEMBL3330736

C=C(CCl)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C(O)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.60
CYP3A4 P08684 7/20 0.51
LMNA P02545 7/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
MAPK1 P28482 4/20 0.51
TSHR P16473 4/20 0.51
SHBG P04278 4/20 0.51
SERPINA6 P08185 4/20 0.51
HSD17B10 Q99714 4/20 0.51
NR3C1 P04150 3/20 0.51
PGR P06401 3/20 0.51
AR P10275 3/20 0.51
GPBAR1 Q8TDU6 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
CYP2C9 P11712 2/20 0.51
HIF1A Q16665 2/20 0.51
ABCB11 O95342 2/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL3628231 0.91 CYP19A1 (0.61) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL3633040 0.88 CYP19A1 (0.65) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL3634099 0.86 ALDH1A1 (0.61) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL15528759 0.84 PSEN1 (0.61) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL23748331 0.84 CYP3A4 (0.71) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL674222 0.84 CYP3A4 (0.71) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL7992724 0.84 CYP3A4 (0.71) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL6053061 0.84 CYP19A1 (0.66) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL4747201 0.84 CYP3A4 (0.71) CYP19A1CYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL3836278 0.82 CYP19A1 (0.72) CYP19A1CYP3A4LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120736-A1 Mineralocorticoid Receptor Antagonists N.V. ORGANON 2010-05-13 US disclosed
EP-2142194-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS N.V. Organon (NL) 2010-01-13 EP disclosed
WO-2008119918-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS N.V. ORGANON (NL) 2008-10-09 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-20100120736-A1 Mineralocorticoid Receptor Antagonists NR3C2, AGTR1, AGTR2 CYP19A1 557/4885CYP3A4 1753/4885LMNA 1513/4885

“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.