SCHEMBL7867598

SCHEMBL7867598

O=C1Oc2cc(O)ccc2C2Oc3cc(O)ccc3C12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
USP2 O75604 1/20 0.42
CYP19A1 P11511 2/20 0.38
RECQL P46063 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TYR P14679 1/20 0.38
PRNP P04156 1/20 0.37

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
SCHEMBL12082438 0.78 MEN1 (0.47) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2957574 0.74 ALDH1A1 (0.46) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL3287647 0.74 ESR2 (0.45) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL9283252 0.73 MEN1 (0.47) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL14086693 0.71 MEN1 (0.46) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL27973276 0.71 MEN1 (0.58) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL17037387 0.71 MEN1 (0.46) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL26778287 0.68 STS (0.56) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL26778285 0.68 STS (0.56) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL26778284 0.67 STS (0.58) ESR1ESR2MEN1KMT2AALDH1A1

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-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US disclosed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US disclosed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US disclosed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US disclosed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US disclosed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US disclosed
US-20080234238-A1 PHARMACEUTICAL PRODUCT CONTAINING PROGESTIN, GENISTEIN, AND VITAMIN D COMPOUND RODRIGUEZ GUSTAVO C 2008-09-25 US disclosed
US-20080234238-A1 PHARMACEUTICAL PRODUCT CONTAINING PROGESTIN, GENISTEIN, AND VITAMIN D COMPOUND RODRIGUEZ GUSTAVO C 2008-09-25 US disclosed
US-20080045488-A1 PREVENTION OF OVARIAN CANCER BY ADMINISTRATION OF PRODUCTS THAT INDUCE BIOLOGICAL EFFECTS IN THE OVARIAN EPITHELIUM NEW LIFE PHARMACEUTICALS INC. (US) 2008-02-21 US disclosed
US-20080045488-A1 PREVENTION OF OVARIAN CANCER BY ADMINISTRATION OF PRODUCTS THAT INDUCE BIOLOGICAL EFFECTS IN THE OVARIAN EPITHELIUM NEW LIFE PHARMACEUTICALS INC. (US) 2008-02-21 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 (4 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-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 ESR1 1117/4885ESR2 201/4885MEN1 2393/4885
US-20080234238-A1 PHARMACEUTICAL PRODUCT CONTAINING PROGESTIN, GENISTEIN, AND VITAMIN D COMPOUND CYP24A1, VDR, CYP2R1 ESR1 63/4885ESR2 69/4885MEN1 257/4885
US-20080045488-A1 PREVENTION OF OVARIAN CANCER BY ADMINISTRATION OF PRODUCTS THAT INDUCE BIOLOGICAL EFFECTS IN THE OVARIAN EPITHELIUM TGFB1, HDGF, TGFB2 ESR1 616/4885ESR2 28/4885MEN1 3618/4885
US-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG ESR1 4/4885ESR2 1/4885MEN1 2282/4885

“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.