SCHEMBL3010784

SCHEMBL3010784

Oc1cccc(-c2ccc3c(O)cccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 1.00
ESR2 Q92731 4/20 1.00
HSD17B1 P14061 18/20 0.76
HSD17B2 P37059 18/20 0.76
CYP3A4 P08684 5/20 0.67
CYP2C9 P11712 5/20 0.67
CYP1A2 P05177 4/20 0.67
CYP2D6 P10635 4/20 0.67
CYP2B6 P20813 4/20 0.67
CYP2C19 P33261 4/20 0.67

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
SCHEMBL444105 0.90 HSD17B1 (0.84) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL14417357 0.86 HSD17B1 (0.79) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL10865716 0.86 HSD17B1 (0.79) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL3020847 0.86 HSD17B1 (1.00) ESR1ESR2HSD17B1HSD17B2
SCHEMBL3018108 0.85 ESR1 (0.73) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL14417404 0.82 HSD17B1 (0.72) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL14417354 0.81 HSD17B1 (0.70) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL15451 0.81 HSD17B1 (0.70) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL29364213 0.81 HSD17B1 (0.70) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL29738652 0.81 HSD17B1 (0.70) ESR1ESR2HSD17B1HSD17B2CYP1A2

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 13 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
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 ESR1 229/4885ESR2 135/4885HSD17B1 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.