SCHEMBL3453409

SCHEMBL3453409

CCCCCCCCCCCCOC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](CC)CC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](CC)C[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.57
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ PGR P06401 7/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ NR3C1 P04150 6/20 0.35
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ SERPINA6 P08185 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL3453277 1.00 AR (0.57) ARLMNAMAPTPGRNR3C2
SCHEMBL3453072 1.00 AR (0.57) ARLMNAMAPTPGRNR3C2
SCHEMBL4225671 0.93 AR (0.67) ARLMNAMAPTPGRNR3C2
SCHEMBL4219933 0.93 AR (0.67) ARLMNAMAPTPGRNR3C2
SCHEMBL4232014 0.93 AR (0.67) ARLMNAMAPTPGRNR3C2
SCHEMBL5033093 0.93 AR (0.67) ARLMNAMAPTPGRNR3C2
SCHEMBL5028679 0.93 AR (0.67) ARLMNAMAPTPGRNR3C2
SCHEMBL4225224 0.93 AR (0.67) ARLMNAMAPTPGRNR3C2
SCHEMBL3453325 0.89 MAPT (0.56) ARLMNAMAPTPGRNR3C1
SCHEMBL3453254 0.89 MAPT (0.56) ARLMNAMAPTPGRNR3C1

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-20080167283-A1 Nandrolone 17 Beta-Carbonates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRE- SENTED BY THE SECRETARY, DEPA (US) 2008-07-10 — — US claimed
US-7820642-B2 Nandrolone 17β-carbonates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-10-26 — — US disclosed
US-20080167283-A1 Nandrolone 17 Beta-Carbonates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRE- SENTED BY THE SECRETARY, DEPA (US) 2008-07-10 — — 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-20080167283-A1 Nandrolone 17 Beta-Carbonates HSD3B1, HSD3B2, HSD17B7 AR 90/4885LMNA 1090/4885MAPT 4749/4885

“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.

Send feedback