SCHEMBL3004402

SCHEMBL3004402

COc1cncc(-c2ccc3cc(OC)ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 18/20 1.00
CYP11B1 P15538 17/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 1/20 1.00
CYP17A1 P05093 3/20 0.66
CYP19A1 P11511 1/20 0.66
HSD17B1 P14061 1/20 0.65
HSD17B2 P37059 1/20 0.65
GSTP1 P09211 1/20 0.56

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
SCHEMBL7413835 0.88 CYP11B2 (0.78) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL12027311 0.86 CYP11B2 (0.76) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL9984894 0.85 CYP11B2 (0.75) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL21960161 0.85 CYP11B1 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL9984093 0.84 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL9986363 0.84 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL14848543 0.84 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL12027214 0.84 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL4509505 0.84 CYP11B2 (0.72) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL11723032 0.82 HSD17B1 (0.83) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9

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 CYP11B2 36/4885CYP11B1 26/4885CYP1A2 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.