SCHEMBL3010069

SCHEMBL3010069

COc1cccc(-c2ccc3c(Br)c(OC)ccc3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.65
CYP11B2 P19099 4/20 0.65
CYP19A1 P11511 3/20 0.65
HSD17B1 P14061 5/20 0.52
HSD17B2 P37059 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
MAOB P27338 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42

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
SCHEMBL5979768 0.86 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1HSD17B1HSD17B2
SCHEMBL23640316 0.82 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1HSD17B1HSD17B2
SCHEMBL31060852 0.79 CYP11B2 (1.00) CYP11B1CYP11B2CYP19A1PDGFRBPDGFRA
SCHEMBL4508450 0.79 CYP11B2 (1.00) CYP11B1CYP11B2CYP19A1PDGFRBPDGFRA
SCHEMBL3004257 0.79 HSD17B1 (0.64) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3015936 0.78 HSD17B1 (0.56) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL4600498 0.78 CYP1A2 (0.49) CYP11B1CYP11B2HSD17B1HSD17B2CYP1A2
SCHEMBL3020132 0.78 CYP19A1 (0.59) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL2123715 0.77 HSD17B1 (0.74) CYP11B1CYP11B2CYP19A1HSD17B1HSD17B2
SCHEMBL3020882 0.77 HSD17B1 (0.52) CYP11B1CYP11B2CYP19A1HSD17B1HSD17B2

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 CYP11B1 26/4885CYP11B2 36/4885CYP19A1 15/4885

“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.