SCHEMBL5741786

SCHEMBL5741786

CCC1CCc2c(sc3cc(-c4ccc(C)nc4)ccc3c2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MCHR1 Q99705 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL5739961 0.89 KDM4E (0.34) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5740770 0.87 ALDH1A1 (0.45) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL5739488 0.86 MAPT (0.38) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5740793 0.84 KDM4E (0.38) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5738978 0.84 TNIK (0.41) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5739050 0.83 KDM4E (0.39) PIK3CDPI4KAPIK3CGPI4KBALDH1A1
SCHEMBL5741298 0.83 BRD4 (0.39) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5741212 0.83 TNIK (0.37) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5739368 0.81 MAPT (0.41) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5740778 0.81 MAPT (0.39) ALDH1A1KDM4ERAB9AHPGDMAPT

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
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA PIK3CD 4559/4885PIK3CA 4593/4885PIK3CB 4311/4885

“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.