Sugi Predict

Sugi Predict / Compounds / SCHEMBL6851908

SCHEMBL6851908

SCHEMBL6851908

COc1ccc2c(c1)CC[C@H]1[C@H]3C=CC(=O)[C@H]3CC[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.55
▸ HSD17B1 P14061 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SRD5A1 P18405 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP19A1 P11511 2/20 0.46
▸ ESR1 P03372 4/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ STS P08842 4/20 0.43

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
SCHEMBL6568982 1.00 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6569001 0.80 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL25529639 0.80 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738485 0.75 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5024803 0.75 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12164090 0.75 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15705820 0.73 ESR1 (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6851953 0.73 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6247040 0.72 SRD5A1 (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6565814 0.72 SRD5A1 (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20030087886-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2003-05-08 — — US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030087886-A1 Orally active androgens NR5A1, AR, CYP17A1 LMNA 2749/4885HSD17B1 15/4885MAPT 4474/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 LMNA 2728/4885HSD17B1 15/4885MAPT 4467/4885

“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.