SCHEMBL6840976

SCHEMBL6840976

CC[C@@H]1Cc2cc(OC)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ESR1 P03372 10/20 0.56
ESR2 Q92731 3/20 0.55
HDAC3 O15379 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP2C19 P33261 3/20 0.51
ESRRA P11474 2/20 0.51
PGR P06401 2/20 0.51
CYP3A4 P08684 2/20 0.51
NR1I2 O75469 1/20 0.51
NR3C1 P04150 1/20 0.51
EPHX2 P34913 1/20 0.51
PPARG P37231 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
ESRRB O95718 1/20 0.50
ABCC1 P33527 1/20 0.48

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
SCHEMBL6462441 1.00 LMNA (0.62) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL3316380 0.90 LMNA (0.60) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL13397410 0.90 LMNA (0.60) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL17302816 0.90 LMNA (0.60) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL2357452 0.88 LMNA (0.58) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL17302815 0.88 LMNA (0.58) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL14559142 0.88 LMNA (0.58) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL5353798 0.88 LMNA (0.58) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL6466507 0.88 LMNA (0.48) LMNAHSD17B10ESR1ESR2HDAC3
SCHEMBL24684756 0.87 ESR1 (0.69) LMNAHSD17B10ESR1ESR2HDAC3

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 5 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
EP-1212345-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS Akzo Nobel N.V. (NL) 2002-06-12 EP disclosed
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 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-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG LMNA 2933/4885HSD17B10 39/4885ESR1 97/4885

“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.