SCHEMBL6692321

SCHEMBL6692321

CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.52
▸ NR3C2 P08235 2/20 0.52
▸ PGR P06401 6/20 0.50
▸ CYP17A1 P05093 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NR3C1 P04150 3/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SERPINA6 P08185 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33

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
SCHEMBL11862137 1.00 AR (0.52) ARNR3C2PGRCYP17A1MAPT
SCHEMBL13397495 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL12437208 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL17302786 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL14200096 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL12101456 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL29519614 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL8843324 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL13139936 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT
SCHEMBL3750546 0.85 CYP17A1 (0.54) ARNR3C2PGRCYP17A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010138-A1 Process for the production of 7alpha-methyl steroids SCHERING AG (DE) 2004-01-15 — — US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 — — 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-20040010138-A1 Process for the production of 7alpha-methyl steroids CYP21A2, CYP17A1, CYP4A11 AR 290/4885NR3C2 26/4885PGR 701/4885

“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.

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