SCHEMBL5739724

SCHEMBL5739724

CCC1CCc2c(sc3cc(-c4ccccc4OC)ccc3c2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.41
TNKS2 Q9H2K2 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
ABL1 P00519 3/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TNIK Q9UKE5 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ICMT O60725 1/20 0.35
CHEK1 O14757 1/20 0.35
ADORA1 P30542 1/20 0.35
DHFR P00374 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5738978 0.85 TNIK (0.41) MAPTALDH1A1GAAHPGDTNIK
SCHEMBL5740790 0.85 PTPN5 (0.36) ABL1MAPTALDH1A1GAAHPGD
SCHEMBL5740778 0.85 MAPT (0.39) LIMK1ABL1MAPTALDH1A1GAA
SCHEMBL5742461 0.84 LIMK1 (0.39) LIMK1MAPTALDH1A1GAAHPGD
SCHEMBL5741094 0.82 MAPT (0.41) MAPTALDH1A1GAAHPGDTNIK
SCHEMBL5739488 0.81 MAPT (0.38) MAPTALDH1A1GAAHPGDTNIK
SCHEMBL5739050 0.81 KDM4E (0.39) MAPTALDH1A1GAAHPGDTNIK
SCHEMBL5741212 0.80 TNIK (0.37) MAPTALDH1A1GAAHPGDTNIK
SCHEMBL5741298 0.80 BRD4 (0.39) MAPTALDH1A1GAAHPGDTNIK
SCHEMBL5740688 0.80 NPC1 (0.39) ALDH1A1TNIK

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 LIMK1 4255/4885TNKS2 1089/4885PTPRC 745/4885

“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.