SCHEMBL3007572

SCHEMBL3007572

CCOC(=O)C=Cc1c(OC)ccc2cc(-c3cccc(OC)c3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
HSD17B2 P37059 2/20 1.00
CYP2D6 P10635 1/20 1.00
FDPS P14324 1/20 0.44
MAOB P27338 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
ALOX5 P09917 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
BACE1 P56817 1/20 0.41
ESR1 P03372 1/20 0.41
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL3007568 1.00 HSD17B1 (1.00) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3010148 0.86 HSD17B1 (0.75) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3010153 0.86 HSD17B1 (0.75) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3009876 0.83 HSD17B1 (0.71) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3009881 0.83 HSD17B1 (0.71) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2691222 0.80 CYP1A2 (0.65) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3015305 0.80 HSD17B1 (0.66) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3015301 0.80 HSD17B1 (0.66) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3004257 0.78 HSD17B1 (0.64) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29946529 0.75 FDPS (0.60) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19

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 2 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

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 HSD17B1 1/4885CYP1A2 87/4885CYP3A4 370/4885

“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.