SCHEMBL5740778

SCHEMBL5740778

CCC1CCc2c(sc3cc(-c4ccc(OC)cc4)ccc3c2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
LIMK1 P53667 1/20 0.36
ABL1 P00519 1/20 0.34
TNIK Q9UKE5 1/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN1 Q05586 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
SCHEMBL5741094 0.91 MAPT (0.41) MAPTALDH1A1HPGDGAATNIK
SCHEMBL5742461 0.91 LIMK1 (0.39) MAPTALDH1A1HPGDGAALIMK1
SCHEMBL5739488 0.88 MAPT (0.38) MAPTALDH1A1HPGDGAATNIK
SCHEMBL5738978 0.88 TNIK (0.41) MAPTALDH1A1HPGDGAATNIK
SCHEMBL5741298 0.87 BRD4 (0.39) MAPTALDH1A1HPGDGAATNIK
SCHEMBL5741212 0.87 TNIK (0.37) MAPTALDH1A1HPGDGAATNIK
SCHEMBL5740793 0.86 KDM4E (0.38) MAPTALDH1A1HPGDGAALIMK1
SCHEMBL5740318 0.85 MAPT (0.36) MAPTALDH1A1HPGDGAALIMK1
SCHEMBL5741596 0.85 MAPT (0.34) MAPTALDH1A1HPGDGAATNIK
SCHEMBL5739724 0.85 LIMK1 (0.41) MAPTALDH1A1HPGDGAALIMK1

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 MAPT 29/4885ALDH1A1 1088/4885HPGD 171/4885

“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.