SCHEMBL3009331

SCHEMBL3009331

CNC(=O)c1cc2cc(-c3cccc(OC)c3)ccc2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 1.00
POLB P06746 3/20 0.56
HSD17B2 P37059 2/20 0.54
MTNR1A P48039 1/20 0.53
PLAU P00749 3/20 0.50
PLG P00747 2/20 0.50
PLAT P00750 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
PLK1 P53350 1/20 0.49
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL3009248 0.87 HSD17B1 (0.77) HSD17B1POLBHSD17B2PLAUPLG
SCHEMBL3010105 0.85 HSD17B1 (0.74) HSD17B1POLBHSD17B2PLAUPLG
SCHEMBL3015373 0.85 HSD17B1 (0.74) HSD17B1POLBHSD17B2PLAUPLG
SCHEMBL3015172 0.80 HSD17B1 (0.67) HSD17B1HSD17B2MTNR1APLAUPLG
SCHEMBL1249910 0.75 HSD17B1 (0.60) HSD17B1PLAUPLGPLATNPC1
SCHEMBL4154660 0.73 NPC1 (0.65) HSD17B1MTNR1AKMT2AMEN1NPC1
SCHEMBL19338219 0.72 HSD17B10 (0.70) HSD17B1POLBMTNR1AKMT2AMEN1
SCHEMBL5981441 0.72 HSD17B1 (0.69) HSD17B1HSD17B2PLAUPLGPLAT
SCHEMBL3014909 0.72 HSD17B1 (0.56) HSD17B1POLBHSD17B2KMT2AMEN1
SCHEMBL2123715 0.72 HSD17B1 (0.74) HSD17B1HSD17B2PLAUPLGPLAT

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-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885POLB 1158/4885HSD17B2 3/4885

“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.