SCHEMBL3014909

SCHEMBL3014909

CNC(=O)c1cc2cc(-c3cccc(O)c3)ccc2cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.56
SRC P12931 1/20 0.56
HSD17B2 P37059 8/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C9 P11712 4/20 0.53
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2B6 P20813 3/20 0.53
CYP2C19 P33261 3/20 0.53
POLA1 P09884 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NCOA1 Q15788 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL2760145 0.84 SRC (0.61) SRCPOLA1MEN1KMT2AMITF
SCHEMBL3015247 0.83 SRC (0.70) HSD17B1SRCHSD17B2CYP3A4CYP2C9
SCHEMBL2743107 0.78 KMT2A (0.68) MEN1KMT2AMITFGAAMAPT
SCHEMBL3008538 0.77 HSD17B1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL14363463 0.76 PLAU (0.57) SRCPOLA1MEN1KMT2AMITF
SCHEMBL18317076 0.74 HPGDS (0.59) HSD17B1HSD17B2CYP3A4CYP2C9MEN1
SCHEMBL3009331 0.72 HSD17B1 (1.00) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL1250945 0.72 ACMSD (0.68) ESR1ESR2
SCHEMBL2735971 0.71 SRC (1.00) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL569383 0.71 ACMSD (0.68) ESR1ESR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HSD17B1 1/4885SRC 4667/4885HSD17B2 3/4885

“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.