SCHEMBL5740052

SCHEMBL5740052

O=C1c2cc(Cl)ccc2SC2CCCCCC12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.42
ELOC Q15369 1/20 0.42
ELOB Q15370 1/20 0.42
S100A4 P26447 2/20 0.37
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 4/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
F7 P08709 1/20 0.33
PARP1 P09874 1/20 0.33
F3 P13726 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4091877 0.98 VHL (0.40) VHLELOCELOBS100A4HPGD
SCHEMBL4098371 0.95 VHL (0.40) VHLELOCELOBS100A4HPGD
SCHEMBL4101184 0.89 VHL (0.41) VHLELOCELOBS100A4HPGD
SCHEMBL4090507 0.83 VHL (0.44) VHLELOCELOBS100A4HPGD
SCHEMBL14015782 0.76 LMNA (0.46) S100A4HPGDLMNAPOLBPARP1
SCHEMBL31199232 0.74 S100A4 (0.52) VHLELOCELOBS100A4LMNA
SCHEMBL13497615 0.73 TSHR (0.42) S100A4HPGDLMNAPOLBPARP1
SCHEMBL13534999 0.69 VHL (0.42) VHLELOCELOBS100A4HPGD
SCHEMBL68088 0.69 KDM4E (0.48) VHLELOCELOBS100A4HPGD
SCHEMBL13497572 0.68 VHL (0.53) VHLELOCELOBS100A4HPGD

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 6 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 claimed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US claimed
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 VHL 1397/4885ELOC 2695/4885ELOB 2465/4885

“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.