SCHEMBL3015115

SCHEMBL3015115

O=C(O)c1cc(-c2cccc(O)c2)nc2ccc(O)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.79
AKR1C2 P52895 1/20 0.79
AKR1C1 Q04828 1/20 0.79
POLB P06746 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PDE10A Q9Y233 1/20 0.59
EPRS1 P07814 1/20 0.58
DHODH Q02127 4/20 0.57
HIF1A Q16665 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGES O14684 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL1897678 0.91 POLB (0.73) AKR1C3AKR1C2AKR1C1POLBALDH1A1
SCHEMBL4614391 0.88 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1POLBALDH1A1
SCHEMBL4601385 0.86 KDM4E (0.67) AKR1C3AKR1C2AKR1C1POLBALDH1A1
Benzaldehyde SCHEMBL22471878 0.82 POLB (0.61) AKR1C3AKR1C2AKR1C1POLBALDH1A1
SCHEMBL6335134 0.81 POLB (0.76) AKR1C3AKR1C2AKR1C1POLBALDH1A1
Iodide SCHEMBL4466354 0.79 POLB (0.74) AKR1C3AKR1C2AKR1C1POLBALDH1A1
SCHEMBL31490582 0.78 DHODH (0.80) AKR1C3AKR1C2AKR1C1ALDH1A1HSD17B10
SCHEMBL12237496 0.76 RXFP1 (0.67) AKR1C3AKR1C2AKR1C1POLBALDH1A1
SCHEMBL3237037 0.76 POLB (1.00) AKR1C3AKR1C2AKR1C1POLBALDH1A1
SCHEMBL3232504 0.75 DHODH (0.80) POLBALDH1A1HSD17B10KDM4EESR1

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 AKR1C3 108/4885AKR1C2 80/4885AKR1C1 86/4885

“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.