SCHEMBL433900

SCHEMBL433900

CN(C)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.71
RET P07949 1/20 0.71
KDR P35968 1/20 0.71
ABCB1 P08183 2/20 0.68
MAPT P10636 2/20 0.68
SIGMAR1 Q99720 1/20 0.66
NPC1 O15118 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
CYP1A1 P04798 1/20 0.64
CYP1A2 P05177 1/20 0.64
BCHE P06276 1/20 0.64
ACHE P22303 1/20 0.64
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL16823312 0.97 EGFR (0.70) EGFRRETKDRABCB1MAPT
SCHEMBL431393 0.96 EGFR (0.69) EGFRRETKDRSIGMAR1BCHE
SCHEMBL12678185 0.87 EGFR (0.80) EGFRRETKDRABCB1MAPT
SCHEMBL12792587 0.85 EGFR (0.72) EGFRRETKDRABCB1MAPT
SCHEMBL28031602 0.84 EGFR (0.74) EGFRRETKDRABCB1MAPT
SCHEMBL13186952 0.83 EGFR (0.69) EGFRRETKDRABCB1MAPT
SCHEMBL7548426 0.83 MAOA (0.60) ABCB1MAPTSIGMAR1CYP3A4CYP2C9
SCHEMBL7375795 0.82 POLH (0.61) EGFRRETKDRABCB1MAPT
SCHEMBL24882669 0.81 EGFR (0.78) EGFRRETKDRABCB1MAPT
SCHEMBL974548 0.81 MAPT (1.00) 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 EGFR 3521/4885RET 2552/4885KDR 4551/4885
US-20110059913-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL INDICATIONS MLN, FABP6, SI EGFR 1564/4885RET 3400/4885KDR 3142/4885
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof F2, FOXM1, HRH2 EGFR 3521/4885RET 2552/4885KDR 4551/4885
US-20070213281-A1 Natural agent for treatment of gastrointestinal toxicity, associated symptoms and ulcers FABP6, MLN, SI EGFR 1369/4885RET 3556/4885KDR 2671/4885

“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.