SCHEMBL6851876

SCHEMBL6851876

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
STS P08842 6/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 4/20 0.38
ABCC4 O15439 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCC1 P33527 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7520111 1.00 HSD17B1 (0.48) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL7520119 1.00 HSD17B1 (0.48) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6851882 1.00 HSD17B1 (0.48) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5024866 0.86 HSD17B1 (0.62) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6463403 0.86 HSD17B1 (0.62) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5972920 0.86 LMNA (0.52) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5972923 0.86 LMNA (0.52) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6849039 0.85 LMNA (0.51) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6849035 0.85 LMNA (0.51) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6853652 0.80 LMNA (0.46) HSD17B1LMNAMAPTRECQLSMN1; 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 5 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-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 (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-20030087886-A1 Orally active androgens NR5A1, AR, CYP17A1 HSD17B1 15/4885LMNA 2749/4885MAPT 4474/4885

“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.