SCHEMBL3014596

SCHEMBL3014596

CNC(=O)c1cc(OC)cc(-c2ccc3cc(OC)ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 1.00
HSD17B2 P37059 6/20 1.00
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
PLK1 P53350 1/20 0.53
HPGDS O60760 1/20 0.52
PLAU P00749 2/20 0.51
PLG P00747 1/20 0.51
PLAT P00750 1/20 0.51
GSTP1 P09211 1/20 0.50
ABL1 P00519 1/20 0.49
ABCB1 P08183 1/20 0.49
BCR P11274 1/20 0.49
MTNR1A P48039 1/20 0.48

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
SCHEMBL3008341 0.84 HSD17B1 (0.72) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3017396 0.83 HSD17B1 (1.00) HSD17B1HSD17B2PLAUPLGPLAT
SCHEMBL3015910 0.78 HSD17B1 (1.00) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL7959771 0.78 PLK1 (0.64) HSD17B1HSD17B2CYP1A2PLK1
SCHEMBL3002790 0.76 HSD17B1 (1.00) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3002795 0.76 HSD17B1 (1.00) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3008329 0.76 HSD17B1 (1.00) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3015020 0.74 HSD17B1 (0.92) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL15897010 0.74 CYP11B1 (0.69) HSD17B1HSD17B2CYP1A2CYP3A4CYP11B1
SCHEMBL12051687 0.74 HSD17B1 (0.83) HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9

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 3/4885CYP1A2 87/4885

“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.