SCHEMBL3940302

SCHEMBL3940302

COC(=O)CCc1ccc(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
ALDH1A1 P00352 1/20 0.58
ALOX5 P09917 1/20 0.58
OR51E2 Q9H255 1/20 0.58
ATM Q13315 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.55
PDE4D Q08499 1/20 0.55

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
SCHEMBL7533459 0.91 ALOX5 (0.52) KMT2AMEN1CA12CA1CA2
SCHEMBL21494459 0.89 PDE4D (0.59) KMT2AMEN1ALOX5OR51E2PDE4D
Phenyl Propionic Acid SCHEMBL28541899 0.89 KMT2A (0.63) KMT2AMEN1ALDH1A1ALOX5
SCHEMBL2275943 0.87 KMT2A (0.51) KMT2AMEN1CA12CA1CA2
SCHEMBL8113403 0.87 ATM (0.57) KMT2AMEN1CA12CA1CA2
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.87 ALOX5 (0.77) ALDH1A1ALOX5OR51E2
SCHEMBL18744079 0.87 ALOX5 (0.55) KMT2AMEN1CA12CA1CA2
SCHEMBL28287006 0.87 CYP19A1 (0.65) KMT2AMEN1ALOX5OR51E2
SCHEMBL18224202 0.86 ALOX5 (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL10307841 0.86 ALOX5 (0.77) KMT2AMEN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449167-B2 Polyamine derivative medicinal salt and preparation method and use Chongqing Antixin Biotechnology Co., LTD. (CN) 2019-10-22 US disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
CN-100372836-C Novel immunotherapeutic imides/amides CELGENE CORP (US) 2008-03-05 CN disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
CN-1254333-A Immunotherapeutic imides/amides CELGENE CORP (US) 2000-05-24 CN disclosed
EP-0703919-B1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1998-09-02 EP disclosed
US-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 US disclosed
US-5414108-A From a Meldrum's acid derivative BIOGAL GYOGYSZERGRAR (HU) 1995-05-09 US disclosed
US-5350872-A Decyclization and decarboxylation of a 1,3-dioxane-4,6-dione BIOGAL GYOGYSZERGRAR (HU) 1994-09-27 US disclosed
EP-0297733-A2 Pharmaceutical compositions comprising catecholic butanes BLOCK DRUG COMPANY, INC. (US) 1989-01-04 EP disclosed
EP-0290442-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS CHEMEX PHARMACEUTICALS, INC. (US) 1988-11-17 EP disclosed
EP-0288534-A1 COMPOSITIONS OF CATECHOLIC BUTANES WITH ZINC. CHEMEX PHARMACEUTICALS INC (US) 1988-11-02 EP disclosed
WO-1988003806-A1 PHARMACOLOGICALLY ACTIVE COMPOSITIONS OF CATECHOLIC BUTANES WITH ZINC CHEMEX PHARMACEUTICALS, INC. (US) 1988-06-02 WO disclosed
WO-1988003805-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS CHEMEX PHARMACEUTICALS, INC. (US) 1988-06-02 WO disclosed
WO-1988003026-A1 COMPOSITIONS OF CATECHOLIC BUTANES WITH ZINC CHEMEX PHARMACEUTICALS, INC. (US) 1988-05-05 WO disclosed
US-4733002-A Lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1988-03-22 US disclosed
EP-0163270-A2 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1985-12-04 EP disclosed
US-4188338-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1980-02-12 US disclosed
US-4173652-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1979-11-06 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 (2 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-10449167-B2 Polyamine derivative medicinal salt and preparation method and use SRM, TLR9, SELP KMT2A 695/4885MEN1 1883/4885CA12 4463/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 KMT2A 4680/4885MEN1 1408/4885CA12 2391/4885

“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.