SCHEMBL4225856

SCHEMBL4225856

CCC(=O)O[C@]1(C(O)=S)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C(O)=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.41
AR P10275 2/20 0.41
CYP3A4 P08684 5/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
NR1I2 O75469 2/20 0.38
NR3C1 P04150 2/20 0.38
PGR P06401 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP3A5 P20815 1/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP17A1 P05093 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5814451 0.93 CYP19A1 (0.42) CYP19A1ARCYP3A4LMNAUSP2
SCHEMBL18662883 0.86 LMNA (0.52) CYP19A1ARCYP3A4LMNAUSP2
SCHEMBL6888641 0.83 CYP19A1 (0.36) CYP19A1ARCYP3A4LMNAUSP2
SCHEMBL3466312 0.83 CYP19A1 (0.36) CYP19A1ARCYP3A4LMNAUSP2
SCHEMBL6036866 0.83 CYP19A1 (0.36) CYP19A1ARCYP3A4LMNAUSP2
SCHEMBL3228925 0.83 CYP3A4 (0.42) ARCYP3A4LMNAUSP2NR1I2
SCHEMBL5206089 0.83 CYP3A4 (0.42) ARCYP3A4LMNAUSP2NR1I2
SCHEMBL7692299 0.83 CYP3A4 (0.42) ARCYP3A4LMNAUSP2NR1I2
SCHEMBL5943152 0.82 AR (0.40) ARCYP3A4LMNAUSP2NR1I2
SCHEMBL16718809 0.82 CYP19A1 (0.35) CYP19A1LMNAMAPTCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP19A1 25/4885AR 22/4885CYP3A4 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.