SCHEMBL3015874

SCHEMBL3015874

O=C(/C=C/c1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.76
TOP2B Q02880 1/20 0.76
HSD17B1 P14061 1/20 0.69
MMP1 P03956 14/20 0.61
MMP2 P08253 14/20 0.61
MMP9 P14780 14/20 0.61
DEGS1 O15121 1/20 0.54
EGFR P00533 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PELI1 Q96FA3 1/20 0.50
KDM1A O60341 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
SCHEMBL3015879 1.00 TOP2A (0.76) TOP2ATOP2BHSD17B1MMP1MMP2
SCHEMBL29040337 0.86 TOP2A (1.00) TOP2ATOP2BHSD17B1MMP1MMP2
SCHEMBL29040338 0.86 TOP2A (1.00) TOP2ATOP2BHSD17B1MMP1MMP2
SCHEMBL3016304 0.83 HSD17B1 (0.67) TOP2ATOP2BHSD17B1PELI1
SCHEMBL3016306 0.83 HSD17B1 (0.67) TOP2ATOP2BHSD17B1PELI1
SCHEMBL3010078 0.81 HSD17B1 (1.00) TOP2ATOP2BHSD17B1MMP1MMP2
SCHEMBL3010073 0.81 HSD17B1 (1.00) TOP2ATOP2BHSD17B1MMP1MMP2
3-Hydroxy-Cinnamanilide SCHEMBL28903001 0.76 MMP1 (1.00) TOP2AMMP1MMP2MMP9DEGS1
3-Hydroxy-Cinnamanilide SCHEMBL30031823 0.76 MMP1 (1.00) TOP2AMMP1MMP2MMP9DEGS1
SCHEMBL3003893 0.76 HSD17B1 (0.60) TOP2ATOP2BHSD17B1DEGS1

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 11 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 claimed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US claimed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP claimed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO claimed
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
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 TOP2A 685/4885TOP2B 792/4885HSD17B1 1/4885

“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.