Sugi Predict

Sugi Predict / Compounds / SCHEMBL6849035

SCHEMBL6849035

SCHEMBL6849035

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ HSD17B1 P14061 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ STS P08842 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 4/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6849039 1.00 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5972920 0.89 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5972923 0.89 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6467449 0.88 HSD17B1 (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL3102817 0.88 HSD17B1 (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6851876 0.85 HSD17B1 (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7520119 0.85 HSD17B1 (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7520111 0.85 HSD17B1 (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6851882 0.85 HSD17B1 (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11857389 0.81 LMNA (0.72) 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 8 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
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 (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.