SCHEMBL5116952

SCHEMBL5116952

COC(=O)c1cc2ccc(OCCc3c[nH]c4ccccc34)cc2oc1=O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.60
MAOB P27338 7/20 0.60
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PPARG P37231 2/20 0.57
PPARA Q07869 2/20 0.57

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
SCHEMBL5123020 0.90 SLC16A3 (0.67) MAOBMEN1NPC1POLBMAPT
SCHEMBL5109572 0.81 MAOB (0.80) MAOAMAOBPPARGPPARA
SCHEMBL7900907 0.81 PTGS1 (0.54) MEN1NPC1POLBMAPTRAB9A
SCHEMBL17704677 0.77 MAOB (0.66) MAOAMAOBNPC1PPARGPPARA
SCHEMBL6516526 0.77 GPR84 (0.61) MEN1NPC1POLBMAPTRAB9A
SCHEMBL7911142 0.76 MTNR1A (0.53) MAOAMAOBMEN1POLBMAPT
SCHEMBL24176813 0.75 MAOB (0.76) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL7340338 0.75 MAOB (1.00) MAOAMAOBMAPTPPARGPPARA
SCHEMBL93418 0.75 MAOB (0.80) MAOAMAOB
SCHEMBL27750409 0.75 MAOB (1.00) MAOAMAOBMAPTPPARGPPARA

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-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 claimed
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 claimed
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 MAOA 1404/4885MAOB 804/4885MEN1 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.