SCHEMBL4464671

SCHEMBL4464671

Cc1cc(O)cc2occ(-c3ccccc3)c(=O)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.74
ALDH1A1 P00352 9/20 0.74
HPGD P15428 9/20 0.74
MAPT P10636 8/20 0.74
HSD17B10 Q99714 7/20 0.74
TP53 P04637 7/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
ALOX15 P16050 5/20 0.74
CYP3A4 P08684 5/20 0.74
ALOX12 P18054 3/20 0.74
BLM P54132 3/20 0.74
USP2 O75604 2/20 0.74
BRCA1 P38398 1/20 0.74
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
KDM4E B2RXH2 7/20 0.59
POLB P06746 4/20 0.59
LMNA P02545 4/20 0.59
CYP2C9 P11712 4/20 0.59

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
SCHEMBL678215 0.90 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL5989965 0.88 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
5,7-Dihydroxyisoflavone SCHEMBL1586459 0.85 MEN1 (1.00) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL6266319 0.85 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL9755698 0.84 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL12238015 0.84 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL10623004 0.83 SMN1; SMN2 (0.94) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL12238014 0.81 RAB9A (0.79) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL31186354 0.81 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
SCHEMBL1227819 0.81 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248420-B1 BENZOPYRAN DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1991-09-18 EP claimed
CN-116162636-A Isopentenyl transferase gene PcPT11 and encoding product and application thereof 中国医学科学院药用植物研究所 2023-05-26 CN disclosed
CN-103030619-B C-crystal-form 5-methyl-7-methoxyiso-flavone and preparation method, pharmaceutical compositions and application of C-crystal-form 5-methyl-7-methoxyiso-flavone INST MATERIA MEDICA CAMS 2015-04-22 CN disclosed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
CN-101591324-B Three crystal forms of 5-methyl-7-methoxyisoflavone, preparation method thereof, pharmaceutical composition thereof and application thereof INST MATERIA MEDICA CAMS 2013-07-10 CN disclosed
CN-103030619-A C-crystal-form 5-methyl-7-methoxyiso-flavone and preparation method, pharmaceutical compositions and application of C-crystal-form 5-methyl-7-methoxyiso-flavone INST MATERIA MEDICA CAMS 2013-04-10 CN disclosed
CN-101591324-A Three crystal forms of 5-methyl-7-methoxyisoflavone, preparation method thereof, pharmaceutical composition thereof and application thereof INST MATERIA MEDICA CAMS (CN) 2009-12-02 CN disclosed
CN-101591225-A The synthetic method of 5-alkyl resorcinol UNIV EAST CHINA SCIENCE & TECH (CN) 2009-12-02 CN disclosed
US-7625943-B2 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J 2009-12-01 US disclosed
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method ROBERTS WILLIAM J (US) 2005-03-24 US disclosed
US-6818668-B2 ADMINISTERING PRODRUGS OF METABOLITES SUCH AS 5-METHYL-7-ETHYL CARBONATE-ISOFLAVONE, TO INCREASING CONCENTRATION OF FLAVONOIDS BIOTEST LABORATORIES, LLC 2004-11-16 US disclosed
WO-2003087083-A1 5-ALKYL-7-ALKYLCARBONATE-ISOFLAVONE ESTER AS ISOFLAVONE PRODRUG BIOTEST LABORATORIES, LLC (US) 2003-10-23 WO disclosed
US-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method BIOTEST LABORATORIES, LLC 2003-10-16 US disclosed
US-4163746-A ANABOLIC, 5-METHYL-7-ALKOXYISOFLAVONES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-08-07 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 (3 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 SMN1; SMN2 4749/4885ALDH1A1 1004/4885HPGD 1271/4885
US-20030195245-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 SMN1; SMN2 2349/4885ALDH1A1 708/4885HPGD 223/4885
US-20050065354-A1 5-alkyl-7-alkylcarbonate-isoflavone ester and related method CYP2A7, CYP8B1, CYP3A7 SMN1; SMN2 2299/4885ALDH1A1 696/4885HPGD 223/4885

“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.