SCHEMBL16698199

SCHEMBL16698199

COc1cccc2oc(C(=O)Nc3ccccc3)c(C)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.68
MMP2 P08253 4/20 0.61
MMP13 P45452 4/20 0.61
NMT2 O60551 1/20 0.55
NMT1 P30419 1/20 0.55
TP53 P04637 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.53
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL10735539 0.89 EDNRA (0.53) EDNRAMMP2MMP13NMT2NMT1
SCHEMBL10737734 0.87 NPC1 (0.60) EDNRAMMP2MMP13NMT2NMT1
SCHEMBL16698582 0.85 NPC1 (0.53) EDNRAMMP2MMP13TP53MAPT
SCHEMBL20305366 0.83 EDNRA (0.71) EDNRAMMP2MMP13NMT2NMT1
SCHEMBL10736988 0.82 MMP2 (0.59) MMP2MMP13TP53MAPTTSHR
SCHEMBL3616780 0.82 EDNRA (1.00) EDNRAMMP2MMP13TP53MAPT
SCHEMBL16697971 0.81 KMT2A (0.59) TP53MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL5866924 0.77 LMNA (0.79) TP53MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL3616553 0.77 MMP2 (1.00) MMP2MMP13
SCHEMBL3616557 0.77 MMP2 (1.00) MMP2MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170182023-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SAVANNAH STATE UNIVERSITY 2017-06-29 US disclosed
US-9532983-B2 Benzofuran compounds, compositions, kits and/or methods thereof SAVANNAH STATE UNIVERSITY (US) 2017-01-03 US disclosed
US-20150133498-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SAVANNAH STATE UNIVERSITY 2015-05-14 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-20150133498-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SIGMAR1, OPRM1, OPRL1 EDNRA 1392/4885MMP2 4444/4885MMP13 4088/4885
US-20170182023-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SIGMAR1, OPRM1, OPRL1 EDNRA 1392/4885MMP2 4444/4885MMP13 4088/4885

“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.