SCHEMBL217968

SCHEMBL217968

C[C@]12CC[C@@H]3c4ccc(OC#N)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.76
LMNA P02545 2/20 0.76
MAPT P10636 2/20 0.76
RECQL P46063 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
STS P08842 10/20 0.72
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CA9 Q16790 3/20 0.70
ESR1 P03372 2/20 0.70
ESR2 Q92731 2/20 0.70
KDM4E B2RXH2 2/20 0.70
ABCC4 O15439 1/20 0.70
CYP2C9 P11712 1/20 0.70
ABCC1 P33527 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70
CA4 P22748 1/20 0.70
CA6 P23280 1/20 0.70
CYP3A4 P08684 3/20 0.67
AKR1B10 O60218 1/20 0.67

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
SCHEMBL17419459 0.89 HSD17B1 (0.73) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.88 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12441050 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10079402 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL27862478 0.86 HSD17B1 (0.83) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260014080-A1 LIPOSOMAL PREPARATION WITH ENCAPSULATED HORMONES, METHOD OF PRODUCTION AND USE THEREOF VAN BOGAERT GINA (BE) 2026-01-15 US disclosed
WO-2023223235-A1 LIPOSOMAL PREPARATION WITH ENCAPSULATED HORMONES, METHOD OF PRODUCTION AND USE THEREOF PURNA PHARMACEUTICALS NV (BE) 2023-11-23 WO disclosed
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 US disclosed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 WO disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP disclosed
EP-1685150-A2 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-08-02 EP disclosed
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 US disclosed
WO-2005047303-A2 NOVEL 17β HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-26 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-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 HSD17B1 2/4885LMNA 2693/4885MAPT 3025/4885
US-20260014080-A1 LIPOSOMAL PREPARATION WITH ENCAPSULATED HORMONES, METHOD OF PRODUCTION AND USE THEREOF NR5A1, SHBG, GNRHR HSD17B1 30/4885LMNA 796/4885MAPT 4293/4885

“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.