SCHEMBL3306980

SCHEMBL3306980

COc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CO

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.41
CIT O14578 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CASR P41180 1/20 0.36

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
Hydrochloric Acid SCHEMBL1167785 0.99 AAK1 (0.41) AAK1CITCYP3A4CYP2C19MAPT
SCHEMBL1167942 0.96 AAK1 (0.41) AAK1CITCYP3A4CYP2C19MAPT
SCHEMBL1168248 0.93 AAK1 (0.41) AAK1CITCYP3A4CYP2C19MAPT
SCHEMBL12344064 0.93 CIT (0.50) AAK1CIT
SCHEMBL12343358 0.92 CIT (0.42) AAK1CITCYP3A4CYP2C19MAPT
Hydrochloric Acid SCHEMBL1167834 0.92 CIT (0.49) AAK1CIT
SCHEMBL12341685 0.92 CIT (0.42) AAK1CITCYP3A4CYP2C19MAPT
Hydrochloric Acid SCHEMBL1169376 0.91 CIT (0.41) AAK1CITCYP3A4CYP2C19MAPT
SCHEMBL1167780 0.90 LMNA (0.40) AAK1CITCYP3A4CYP2C19MAPT
SCHEMBL12338945 0.90 CIT (0.39) AAK1CITCYP3A4CYP2C19MAPT

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-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 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 (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-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK AAK1 2001/4885CIT 787/4885CYP3A4 2191/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 AAK1 3020/4885CIT 337/4885CYP3A4 4468/4885

“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.