SCHEMBL73754

SCHEMBL73754

COc1ccc(-c2coc3ccccc3c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
RAB9A P51151 8/20 0.70
MAPT P10636 7/20 0.70
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
NPC1 O15118 7/20 0.70
CYP3A4 P08684 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KDM4E B2RXH2 5/20 0.70
TP53 P04637 4/20 0.70
HPGD P15428 3/20 0.70
MAOB P27338 5/20 0.67
HSD17B10 Q99714 4/20 0.67
CYP2D6 P10635 3/20 0.67
CYP2C9 P11712 3/20 0.67
CYP2C19 P33261 3/20 0.67
MAOA P21397 2/20 0.67
CYP1B1 Q16678 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
BCL2 P10415 1/20 0.67

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
SCHEMBL11730519 0.87 PIN1 (0.67) ALDH1A1RAB9AMAPTMEN1KMT2A
Formononetin SCHEMBL247496 0.87 KDM4E (0.84) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL7499018 0.86 PIN1 (0.65) ALDH1A1RAB9AMAPTMEN1KMT2A
Isoflavone SCHEMBL4347720 0.85 MAOB (0.63) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL571576 0.85 XDH (0.84) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL28172130 0.85 RAB9A (0.67) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL29640433 0.85 RAB9A (0.67) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL3494129 0.84 MAPT (0.73) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL13640726 0.83 MIF (0.61) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL762092 0.82 MAPT (1.00) ALDH1A1RAB9AMAPTMEN1KMT2A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903571-A Isoflavone compound or pharmaceutically acceptable ester or pharmaceutically salt thereof, preparation method and application thereof in preparing medicines for treating pain in vivo and medicines for reducing blood glucose 郑州大学第一附属医院 2023-10-20 CN claimed
CN-119060026-A Benzyl piperidine-containing formononetin derivative and preparation method and application thereof 贵州大学 2024-12-03 CN disclosed
CN-116903571-A Isoflavone compound or pharmaceutically acceptable ester or pharmaceutically salt thereof, preparation method and application thereof in preparing medicines for treating pain in vivo and medicines for reducing blood glucose 郑州大学第一附属医院 2023-10-20 CN disclosed
CN-115322168-A Calycosin derivative and preparation method and application thereof 桂林医学院 2022-11-11 CN disclosed
US-8809627-B2 Plant isoflavone and isoflavanone O-methyltransferase genes THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2014-08-19 US disclosed
US-8742141-B2 Inhibition and treatment of prostate cancer metastasis NORTHWESTERN UNIVERSITY (US) 2014-06-03 US disclosed
US-8742141-B2 Inhibition and treatment of prostate cancer metastasis NORTHWESTERN UNIVERSITY (US) 2014-06-03 US disclosed
US-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
US-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
US-8481760-B2 Inhibition and treatment of prostate cancer metastasis NORTHWESTERN UNIVERSITY (US) 2013-07-09 US disclosed
US-20050172354-A1 Plant isoflavonoid hydroxylases and methods of use thereof THE SAMUEL ROBERT NOBLE FOUNDATION 2005-08-04 US disclosed
WO-2005042747-A2 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2005-05-12 WO disclosed
US-20040200139-A1 Method and composition for tree root colonization VAMTECH, L.L.C. 2004-10-14 US disclosed
EP-0456808-B1 METHOD AND COMPOSITIONS FOR STIMULATING VESICULAR-ARBUSCULAR MYCORRHIZAL FUNGI UNIV MICHIGAN STATE (US) 1997-10-08 EP disclosed
EP-0456808-A4 METHOD AND COMPOSITIONS FOR STIMULATING VESICULAR-ARBUSCULAR MYCORRHIZAL FUNGI UNIV MICHIGAN STATE (US) 1992-11-04 EP disclosed
US-5125955-A Plant safening agents and growth regulators BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1992-06-30 US disclosed
US-5085682-A Method and compositions for stimulating vesticular-arbuscular mycorrhizal fungi using isoflavonoids BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1992-02-04 US disclosed
EP-0456808-A1 METHOD AND COMPOSITIONS FOR STIMULATING VESICULAR-ARBUSCULAR MYCORRHIZAL FUNGI. UNIV MICHIGAN STATE (US) 1991-11-21 EP disclosed
WO-1991007868-A1 METHOD AND COMPOSITIONS FOR STIMULATING VESICULAR-ARBUSCULAR MYCORRHIZAL FUNGI MICHIGAN STATE UNIVERSITY (US) 1991-06-13 WO disclosed
US-5002603-A Stimulating plant growth with isoflavonoid BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1991-03-26 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-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 ALDH1A1 1204/4885RAB9A 2041/4885MAPT 2493/4885

“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.