SCHEMBL3020132

SCHEMBL3020132

COc1ccccc1-c1ccc2c(Br)c(OC)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
DHFR P00374 1/20 0.50
PTPRC P08575 1/20 0.48
PTPN1 P18031 1/20 0.48
TNKS2 Q9H2K2 1/20 0.47
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MAP4K4 O95819 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL7469130 0.84 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL3606605 0.79 PTPRC (0.57) DHFRPTPRCPTPN1HPGDSMN1; SMN2
SCHEMBL29801747 0.79 PTPRC (0.57) DHFRPTPRCPTPN1HPGDSMN1; SMN2
SCHEMBL30167077 0.79 PTPRC (0.57) DHFRPTPRCPTPN1TNKS2HPGD
SCHEMBL5979768 0.78 CYP11B1 (0.62) CYP19A1CYP11B1CYP11B2HPGDKDM4E
SCHEMBL3010069 0.78 CYP11B1 (0.65) CYP19A1CYP11B1CYP11B2PDGFRBPDGFRA
SCHEMBL23060791 0.76 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL3015714 0.76 GSTP1 (0.61) CYP19A1CYP11B1CYP11B2DHFRPTPRC
SCHEMBL3331012 0.75 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2PTPRCPTPN1
SCHEMBL27979076 0.75 PTPRC (0.57) DHFRPTPRCPTPN1TNKS2HPGD

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 4 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-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

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

“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.