SCHEMBL5116383

SCHEMBL5116383

COC(=O)C1Cc2ccc(O)cc2OC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 10/20 0.48
KLK5 Q9Y337 1/20 0.40
MIF P14174 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL9734501 0.85 KDM4E (0.50) PPARGPPARAKLK5MEN1ALDH1A1
SCHEMBL14038361 0.82 ESR2 (0.41) PPARGPPARAKLK5MIFMEN1
SCHEMBL14013303 0.77 PPARG (0.60) PPARGPPARAKLK5ALDH1A1
SCHEMBL9938371 0.76 GABRA1 (0.47) MIFGABRA1GABRB2MEN1ALDH1A1
SCHEMBL23360606 0.75 GABRA1 (0.46) MIFGABRA1GABRB2ALDH1A1ESR1
SCHEMBL5117961 0.75 PPARG (0.70) PPARGPPARA
SCHEMBL14007732 0.73 ESR2 (0.43) MIFMEN1ALDH1A1KMT2AESR1
SCHEMBL28999667 0.73 PPARG (0.54) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL28999685 0.72 PPARG (0.48) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL2069508 0.72 ALDH1A1 (0.59) MEN1ALDH1A1KMT2A

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 4 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-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 PPARG 670/4885PPARA 414/4885KLK5 2713/4885

“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.