SCHEMBL3010104

SCHEMBL3010104

CC(=O)Nc1ccc(-c2ccc3cc(O)ccc3c2)cc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.75
POLB P06746 1/20 0.75
MAPT P10636 1/20 0.75
RAB9A P51151 1/20 0.75
HSD17B1 P14061 4/20 0.52
HSD17B2 P37059 4/20 0.52
ESR2 Q92731 9/20 0.50
ESR1 P03372 8/20 0.50
KDM4E B2RXH2 1/20 0.49
APOBEC3A P31941 1/20 0.49
GFER P55789 1/20 0.49
HDAC1 Q13547 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL11720879 0.87 POLB (1.00) NPC1POLBMAPTRAB9AHSD17B1
SCHEMBL2896946 0.83 POLB (0.71) NPC1POLBMAPTRAB9AKDM4E
SCHEMBL3017155 0.80 HDAC1 (0.57) NPC1POLBMAPTRAB9AESR2
SCHEMBL3023032 0.77 HSD17B1 (0.67) HSD17B1HSD17B2ESR2ESR1CYP1A2
Sulfuric Acid SCHEMBL15193715 0.77 POLB (0.62) NPC1POLBMAPTRAB9AKDM4E
SCHEMBL30567224 0.73 MAPT (0.62) NPC1POLBMAPTRAB9AHSD17B1
SCHEMBL2855386 0.73 MAPT (0.62) NPC1POLBMAPTRAB9AHSD17B1
SCHEMBL5425451 0.73 ESR2 (0.90) HSD17B1HSD17B2ESR2ESR1ABL1
SCHEMBL30275026 0.73 ESR2 (0.90) HSD17B1HSD17B2ESR2ESR1ABL1
SCHEMBL1808467 0.73 MEN1 (0.64) NPC1POLBMAPTRAB9AKDM4E

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 8 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
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 NPC1 1110/4885POLB 1158/4885MAPT 3368/4885

“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.