SCHEMBL4706402

SCHEMBL4706402

COC(=O)COCc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
F2RL1 P55085 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
PLA2G4B P0C869 1/20 0.48
KLK7 P49862 1/20 0.48
FFAR1 O14842 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
LDHA P00338 1/20 0.47

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
SCHEMBL13241990 0.91 CYP4F2 (0.46) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL132700 0.88 HTT (0.51) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11084824 0.85 KMT2A (0.50) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7720191 0.84 HTT (0.53) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29105138 0.84 RAB9A (0.53) ALDH1A1NPC1RAB9AMAPTCA1
SCHEMBL99313 0.84 FFAR1 (0.57) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13967502 0.84 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL19002576 0.84 HTT (0.53) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8476975 0.83 HTT (0.46) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22759520 0.83 HTT (0.57) HTTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021486-B2 Coumarin-like cyclic compound as MEK inhibitor and use thereof CSTONE PHARMACEUTICALS (KY) 2021-06-01 US disclosed
US-20200148695-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2020-05-14 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
US-3941799-A 6-Substituted-11b-phenyl-3, 11bH-oxazirino[2,3-d]-s-triazol[4,3-a][1,4]benzodiazepines CIBA-GEIGY CORPORATION (US) 1976-03-02 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 (3 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-11021486-B2 Coumarin-like cyclic compound as MEK inhibitor and use thereof MAP3K11, MAP3K15, MAP3K20 HTT 4273/4885ALDH1A1 2037/4885NPC1 1312/4885
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 HTT 1628/4885ALDH1A1 1408/4885NPC1 563/4885
US-20200148695-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF MAP3K11, MAP3K15, MAP3K20 HTT 4273/4885ALDH1A1 2037/4885NPC1 1312/4885

“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.