SCHEMBL3019684

SCHEMBL3019684

Oc1cccc(-c2cc3cc(O)ccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.56
CDK5R1 Q15078 4/20 0.56
RIPK1 Q13546 1/20 0.54
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
HSD17B1 P14061 2/20 0.52
HSD17B2 P37059 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL6741892 0.87 CYP19A1 (0.64) CDK5CDK5R1ESR1ESR2NPC1
SCHEMBL11698946 0.86 NPC1 (0.67) RIPK1HSD17B1HSD17B2CYP1A2CYP2D6
SCHEMBL4258578 0.83 CDK5 (0.71) CDK5CDK5R1RIPK1ESR1ESR2
SCHEMBL34460152 0.78 CYP26B1 (0.71) RIPK1ESR1ESR2CYP3A4CYP2C9
SCHEMBL28281356 0.77 CYP19A1 (0.60) CDK5CDK5R1NPC1RAB9AKDM4E
SCHEMBL16719993 0.76 RIPK1 (0.48) CDK5CDK5R1RIPK1ESR1ESR2
SCHEMBL19889776 0.74 CDK5 (0.51) CDK5CDK5R1KDM4EMEN1ALDH1A1
SCHEMBL27291636 0.73 CDK1 (0.53) CDK5CDK5R1ESR1ESR2KDM4E
SCHEMBL29513345 0.73 NPC1 (0.69) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL3708235 0.73 NPC1 (0.63) CDK5CDK5R1ESR1ESR2CYP1A2

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 7 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
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 CDK5 1911/4885CDK5R1 1108/4885RIPK1 4354/4885

“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.