SCHEMBL430405

SCHEMBL430405

O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCCCC3)cc(O)c12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.70
ACHE P22303 3/20 0.70
SIGMAR1 Q99720 3/20 0.63
EGFR P00533 2/20 0.63
RET P07949 1/20 0.63
KDR P35968 1/20 0.63
ABCB1 P08183 1/20 0.63
MAPT P10636 1/20 0.63
APP P05067 1/20 0.62
ABL1 P00519 1/20 0.61
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
NPSR1 Q6W5P4 1/20 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
SCHEMBL433259 0.97 BCHE (0.75) BCHEACHESIGMAR1EGFRRET
SCHEMBL430406 0.96 BCHE (0.74) BCHEACHESIGMAR1EGFR
SCHEMBL433773 0.91 BCHE (0.72) BCHEACHEEGFRRETKDR
SCHEMBL429237 0.91 ABL1 (0.73) BCHEACHESIGMAR1EGFRRET
SCHEMBL429221 0.88 BCHE (0.74) BCHEACHESIGMAR1EGFRRET
SCHEMBL431805 0.88 BCHE (0.77) BCHEACHEEGFRRETKDR
SCHEMBL432003 0.87 BCHE (0.75) BCHEACHEEGFRRETKDR
SCHEMBL432219 0.87 BCHE (0.73) BCHEACHESIGMAR1EGFRRET
SCHEMBL23259589 0.86 ACHE (0.62) BCHEACHESIGMAR1
SCHEMBL30025178 0.86 ACHE (0.62) BCHEACHESIGMAR1

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
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
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 BCHE 3957/4885ACHE 3382/4885SIGMAR1 451/4885
US-20110059913-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL INDICATIONS MLN, FABP6, SI BCHE 224/4885ACHE 418/4885SIGMAR1 3035/4885
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof F2, FOXM1, HRH2 BCHE 3957/4885ACHE 3382/4885SIGMAR1 451/4885
US-20070213281-A1 Natural agent for treatment of gastrointestinal toxicity, associated symptoms and ulcers FABP6, MLN, SI BCHE 209/4885ACHE 340/4885SIGMAR1 2726/4885

“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.