SCHEMBL3018240

SCHEMBL3018240

COc1ccc2cc(-c3ccc(NC(=O)c4ccccc4)c(OC)c3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
ALDH1A1 P00352 3/20 0.74
HPGD P15428 2/20 0.74
KDM4E B2RXH2 2/20 0.74
HSD17B1 P14061 2/20 0.70
HSD17B2 P37059 2/20 0.70
SIRT2 Q8IXJ6 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
LMNA P02545 1/20 0.61
AHR P35869 1/20 0.61
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP1B1 Q16678 1/20 0.60
HDAC2 Q92769 2/20 0.59
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL8820811 0.88 SMN1; SMN2 (0.76) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL3009193 0.83 HSD17B1 (1.00) MAPTALDH1A1HPGDKDM4EHSD17B1
SCHEMBL31680510 0.81 SMN1; SMN2 (0.88) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11568558 0.81 MEN1 (0.80) MAPTALDH1A1HPGDKDM4ESIRT2
SCHEMBL8358105 0.80 TP53 (0.83) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29826604 0.80 TP53 (0.83) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL24711273 0.80 LMNA (0.86) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18103148 0.77 ALDH1A1 (0.58) MAPTALDH1A1HPGDKDM4ESIRT2
SCHEMBL16071443 0.77 EPHX1 (0.76) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11826733 0.77 RAB9A (0.65) MAPTALDH1A1HPGDSMN1; SMN2NPC1

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 9 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
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 MAPT 3368/4885ALDH1A1 52/4885HPGD 33/4885

“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.