SCHEMBL5116136

SCHEMBL5116136

CC(C)(C)OC(=O)c1cc2ccc(O)cc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.67
PFKFB3 Q16875 1/20 0.67
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
KDM4E B2RXH2 3/20 0.65
S1PR4 O95977 2/20 0.65
GLA P06280 2/20 0.65
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
S1PR1 P21453 2/20 0.65
PKM P14618 2/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HTT P42858 1/20 0.55
HSD17B3 P37058 1/20 0.54
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL20411328 0.86 MIF (0.53) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL23651250 0.85 MIF (0.49) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL23636527 0.85 MAOA (0.51) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL103400 0.84 MIF (0.72) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL20414716 0.84 ALDH1A1 (0.69) MEN1KMT2AKDM4EGLAGAA
SCHEMBL28428943 0.83 KDM4E (0.71) MIFMEN1KMT2AKDM4EMAPT
SCHEMBL24803038 0.83 SLC16A3 (0.67) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL2082378 0.81 FLT3 (0.61) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL1406240 0.81 MIF (1.00) MIFPFKFB3MEN1KMT2AKDM4E
SCHEMBL14134576 0.81 KDM4E (0.71) MIFPFKFB3MEN1KMT2AKDM4E

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-7456205-B2 Benzopyran compounds, process for preparing the same and their use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-11-25 US disclosed
US-7456205-B2 Benzopyran compounds, process for preparing the same and their use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-11-25 US disclosed
US-7456205-B2 Benzopyran compounds, process for preparing the same and their use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-11-25 US disclosed
US-20060178405-A1 Benzopyran compounds, process for preparing the same and their use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2006-08-10 US disclosed
EP-1598345-A1 BENZOPYRAN COMPOUNDS, PROCESS FOR PREPARING THE SAME AND THEIR USE SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2005-11-23 EP 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 (1 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-20060178405-A1 Benzopyran compounds, process for preparing the same and their use SLC5A2, CYP2D6, IAPP MIF 2485/4885PFKFB3 880/4885MEN1 869/4885

“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.