SCHEMBL3017396

SCHEMBL3017396

COc1cc(C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 1.00
HSD17B2 P37059 2/20 1.00
PLAU P00749 6/20 0.65
PLG P00747 3/20 0.65
PLAT P00750 3/20 0.65
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CASP3 P42574 3/20 0.62
SENP7 Q9BQF6 3/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55

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
SCHEMBL3014596 0.83 HSD17B1 (1.00) HSD17B1HSD17B2PLAUPLGPLAT
SCHEMBL3956696 0.82 MEN1 (0.88) HSD17B1HSD17B2MEN1KMT2ACASP3
SCHEMBL3008341 0.81 HSD17B1 (0.72) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL3010073 0.79 HSD17B1 (1.00) HSD17B1HSD17B2MEN1KMT2ANPC1
SCHEMBL3011067 0.79 HSD17B1 (1.00) HSD17B1HSD17B2PLAUPLGPLAT
SCHEMBL5226157 0.77 NPC1 (1.00) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5943818 0.76 ADORA3 (0.67) HSD17B1HSD17B2PLAUMEN1KMT2A
SCHEMBL3003893 0.75 HSD17B1 (0.60) HSD17B1HSD17B2PLAUPLGPLAT
SCHEMBL3018240 0.75 MAPT (0.74) HSD17B1HSD17B2PLAUMEN1KMT2A
SCHEMBL15955111 0.75 HSD17B1 (0.60) 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 1/4885HSD17B2 3/4885PLAU 2330/4885

“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.