SCHEMBL430402

SCHEMBL430402

COc1cc(-c2cc(=O)c3c(O)cc(OCCCCCCN4CCCCC4)cc3o2)cc(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
MAOA P21397 1/20 0.59
MAPK8 P45983 1/20 0.59
ACHE P22303 6/20 0.57
BCHE P06276 4/20 0.57
HRH3 Q9Y5N1 2/20 0.51
TERT O14746 1/20 0.51

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
SCHEMBL430406 0.85 BCHE (0.74) ACHEBCHE
SCHEMBL430410 0.85 AKR1B1 (0.68) AKR1B1MAOAMAPK8
SCHEMBL433259 0.84 BCHE (0.75) ACHEBCHE
SCHEMBL430405 0.81 BCHE (0.70) ACHEBCHE
SCHEMBL432003 0.79 BCHE (0.75) ACHEBCHE
SCHEMBL17185547 0.78 BCHE (0.68) MAOAACHEBCHE
SCHEMBL16150088 0.78 MAOA (0.85) AKR1B1MAOAMAPK8
SCHEMBL431805 0.77 BCHE (0.77) ACHEBCHE
SCHEMBL432219 0.77 BCHE (0.73) ACHEBCHE
SCHEMBL429221 0.76 BCHE (0.74) ACHEBCHE

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 5 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
WO-2010097816-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 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 (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-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF F2, FOXM1, HRH2 AKR1B1 1511/4885MAOA 133/4885MAPK8 2690/4885
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof F2, FOXM1, HRH2 AKR1B1 1511/4885MAOA 133/4885MAPK8 2690/4885

“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.