SCHEMBL3010105

SCHEMBL3010105

COc1cccc(-c2ccc3cc(OC)c(C(=O)Nc4ccccc4)cc3c2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.74
POLB P06746 4/20 0.72
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
NPC1 O15118 5/20 0.64
PLAU P00749 3/20 0.60
HSD17B2 P37059 1/20 0.60
RAB9A P51151 4/20 0.59
AHR P35869 2/20 0.59
PLG P00747 2/20 0.58
PLAT P00750 2/20 0.58
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
TRPV1 Q8NER1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 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
SCHEMBL3009331 0.85 HSD17B1 (1.00) HSD17B1POLBKMT2AMEN1NPC1
SCHEMBL3015373 0.84 HSD17B1 (0.74) HSD17B1POLBNPC1PLAUHSD17B2
SCHEMBL10340578 0.84 KMT2A (0.83) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL3009248 0.83 HSD17B1 (0.77) HSD17B1POLBPLAUHSD17B2PLG
SCHEMBL3014831 0.82 PLAU (0.57) HSD17B1POLBKMT2AMEN1NPC1
SCHEMBL5697100 0.81 KMT2A (0.66) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL5696361 0.79 PLAU (0.65) POLBKMT2AMEN1NPC1PLAU
SCHEMBL1337522 0.78 PLAU (0.65) POLBKMT2AMEN1NPC1PLAU
SCHEMBL5695696 0.78 KMT2A (0.62) POLBKMT2AMEN1NPC1PLAU
SCHEMBL4141992 0.77 KMT2A (0.75) POLBKMT2AMEN1NPC1RAB9A

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 1158/4885KMT2A 2038/4885

“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.