SCHEMBL6843517

SCHEMBL6843517

C[C@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.65
PGR P06401 1/20 0.54
ALDH1A1 P00352 3/20 0.45
SHBG P04278 3/20 0.45
SERPINA6 P08185 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B3 P37058 2/20 0.45
SNCA P37840 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
SLC22A1 O15245 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL14946858 1.00 CYP19A1 (0.65) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL14535132 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL12902157 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL908750 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL13125426 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL908121 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL12902155 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL907789 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL10599486 0.86 CYP19A1 (0.64) CYP19A1PGRALDH1A1SHBGSERPINA6
SCHEMBL10599356 0.84 CYP19A1 (0.61) CYP19A1PGRALDH1A1SHBGSERPINA6

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-20040209853-A1 Orally active 7.alpha.-alkyl androgens AKZO NOBEL N.V. (NL) 2004-10-21 US disclosed
US-6756366-B1 19-NORTESTOSTERONE DERIVATIVES; ORALLY ACTIVE; HIGH POTENCY AKZO NOBEL N.V. (NL) 2004-06-29 US disclosed
EP-1212345-B1 ORALLY ACTIVE 7-ALPHA-ALKYL ANDROGENS AKZO NOBEL NV (NL) 2003-08-06 EP 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-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG CYP19A1 11/4885PGR 151/4885ALDH1A1 333/4885

“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.