SCHEMBL6468428

SCHEMBL6468428

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
HSD17B10 Q99714 5/20 0.61
ESR1 P03372 9/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
PGR P06401 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
AR P10275 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ATM Q13315 2/20 0.48
ABCC1 P33527 1/20 0.48
ABCC4 O15439 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
STS P08842 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR2 Q92731 5/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6465985 1.00 LMNA (0.61) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL7885573 1.00 LMNA (0.61) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL2356424 1.00 LMNA (0.61) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL10800294 0.90 LMNA (0.61) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL6463118 0.87 LMNA (0.46) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL5353798 0.87 LMNA (0.58) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL14559142 0.87 LMNA (0.58) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL6466047 0.86 LMNA (0.45) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL6853652 0.85 LMNA (0.46) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL6465178 0.85 LMNA (0.44) LMNAHSD17B10ESR1SMN1; SMN2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
US-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 EP disclosed
US-6541465-B2 Delta 14 derivatives of 19- nortestosterone, useful for the preparation of a medicine for treating androgen insufficiency AKZO NOBEL N.V. (NL) 2003-04-01 US disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed
EP-1203011-A1 ORALLY ACTIVE ANDROGENS Akzo Nobel N.V. (NL) 2002-05-08 EP disclosed
US-20020022609-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2002-02-21 US disclosed
US-6313108-B1 TREATING ANDROGEN INSUFFICIENCY AKZO NOBEL N.V. (NL) 2001-11-06 US disclosed
WO-2001005806-A1 ORALLY ACTIVE ANDROGENS AKZO NOBEL N.V. (NL) 2001-01-25 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-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 LMNA 2728/4885HSD17B10 41/4885ESR1 109/4885

“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.