SCHEMBL429237

SCHEMBL429237

O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCOCC3)cc(O)c12

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.73
BCHE P06276 3/20 0.69
ACHE P22303 3/20 0.69
SIGMAR1 Q99720 1/20 0.64
EGFR P00533 5/20 0.62
RET P07949 1/20 0.62
KDR P35968 1/20 0.62
ABCB1 P08183 1/20 0.62
MAPT P10636 1/20 0.62
PRKDC P78527 1/20 0.61
BCL9 O00512 1/20 0.61
CTNNB1 P35222 1/20 0.61
APP P05067 1/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL429221 0.97 BCHE (0.74) ABL1BCHEACHESIGMAR1EGFR
SCHEMBL432219 0.96 BCHE (0.73) ABL1BCHEACHESIGMAR1EGFR
SCHEMBL430405 0.91 BCHE (0.70) ABL1BCHEACHESIGMAR1EGFR
SCHEMBL433773 0.90 BCHE (0.72) ABL1BCHEACHEEGFRRET
SCHEMBL433259 0.88 BCHE (0.75) ABL1BCHEACHESIGMAR1EGFR
SCHEMBL430406 0.87 BCHE (0.74) BCHEACHESIGMAR1EGFR
SCHEMBL431805 0.87 BCHE (0.77) BCHEACHEEGFRRETKDR
SCHEMBL432003 0.86 BCHE (0.75) BCHEACHEEGFRRETKDR
SCHEMBL14463612 0.83 ABL1 (0.54) ABL1BCHEACHESIGMAR1BCL9
SCHEMBL12678185 0.81 EGFR (0.80) EGFRRETKDRABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642854-B2 Flavanoid compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-09 US disclosed
US-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-06-25 US disclosed
US-8969384-B2 Flavonoid compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-03 US disclosed
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 US disclosed
US-20110059913-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL INDICATIONS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-03-10 US disclosed
US-20110059913-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL INDICATIONS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-03-10 US disclosed
US-20110059913-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL INDICATIONS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-03-10 US disclosed
US-7855200-B2 Method for treatment of gastric ulcers and ulcers induced by aspirin COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-12-21 US disclosed
US-7855200-B2 Method for treatment of gastric ulcers and ulcers induced by aspirin COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-12-21 US disclosed
US-7855200-B2 Method for treatment of gastric ulcers and ulcers induced by aspirin COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-12-21 US disclosed
EP-1976508-A2 FLAVONOIDS ISOLATED FROM OROXYLUM INDICUM FOR TREATMENT OF GASTROINTESTINAL TOXICITY, ASSOCIATED SYMPTOMS AND ULCERS Council of Scientific and Industrial Research (IN) 2008-10-08 EP disclosed
US-20070213281-A1 Natural agent for treatment of gastrointestinal toxicity, associated symptoms and ulcers COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-09-13 US disclosed
US-20070213281-A1 Natural agent for treatment of gastrointestinal toxicity, associated symptoms and ulcers COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-09-13 US disclosed
US-20070213281-A1 Natural agent for treatment of gastrointestinal toxicity, associated symptoms and ulcers COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-09-13 US disclosed
WO-2007080484-A2 FLAVONOIDS ISOLATED FROM OROXYLUM INDICUM FOR TREATMENT OF GASTROINTESTINAL TOXICITY, ASSOCIATED SYMPTOMS AND ULCERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-07-19 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 (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-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF F2, FOXM1, HRH2 ABL1 1767/4885BCHE 3957/4885ACHE 3382/4885
US-20110059913-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL INDICATIONS MLN, FABP6, SI ABL1 3050/4885BCHE 224/4885ACHE 418/4885
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof F2, FOXM1, HRH2 ABL1 1767/4885BCHE 3957/4885ACHE 3382/4885
US-20070213281-A1 Natural agent for treatment of gastrointestinal toxicity, associated symptoms and ulcers FABP6, MLN, SI ABL1 2913/4885BCHE 209/4885ACHE 340/4885

“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.