SCHEMBL12119331

SCHEMBL12119331

Cc1cc(=O)oc2c1ccc1oc(C(O)c3cccc(OCCCCI)c3)c(-c3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 4/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
IGLV6-57 P01721 2/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 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
SCHEMBL10038198 0.83 KDM4E (0.57) NFKB1KDM4EHSD17B10GLAHPGD
SCHEMBL10038278 0.81 NFKB1 (0.64) NFKB1KDM4EGLAHPGDMAPK1
SCHEMBL10038276 0.75 KDM4E (0.47) NFKB1KDM4EHSD17B10GLAHPGD
SCHEMBL25392395 0.74 NFKB1 (0.56) NFKB1KDM4EHSD17B10GLAHPGD
SCHEMBL31036840 0.74 NFKB1 (0.48) NFKB1KDM4EHSD17B10GLAHPGD
SCHEMBL10038137 0.74 NFKB1 (0.66) NFKB1KDM4EGLAHPGDMAPK1
SCHEMBL10038234 0.73 NFKB1 (0.65) NFKB1KDM4EGLAHPGDMAPK1
SCHEMBL10038099 0.73 NFKB1 (0.65) NFKB1KDM4EHPGDMAPK1RAB9A
SCHEMBL25392551 0.73 KDM4E (0.52) NFKB1KDM4EHSD17B10GLAHPGD
SCHEMBL10038287 0.73 NFKB1 (0.64) NFKB1KDM4EHPGDMAPK1KMT2A

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-8058427-B2 Coumarin compounds and their use for treating cancer NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-15 US disclosed
US-8058427-B2 Coumarin compounds and their use for treating cancer NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-15 US disclosed
US-20090312317-A1 COUMARIN COMPOUNDS AND THEIR USE FOR TREATING CANCER NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-12-17 US disclosed
US-20090312317-A1 COUMARIN COMPOUNDS AND THEIR USE FOR TREATING CANCER NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-12-17 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 (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-20090312317-A1 COUMARIN COMPOUNDS AND THEIR USE FOR TREATING CANCER SIRT3, CBR3, RDX NFKB1 1563/4885KDM4E 2566/4885HSD17B10 538/4885

“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.