SCHEMBL5502709

SCHEMBL5502709

C=C(C)c1ccc(OCCCCCC)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
TSHR P16473 1/20 0.65
PLA2G4B P0C869 6/20 0.63
NR5A1 Q13285 1/20 0.62
RARB P10826 3/20 0.59
GAA P10253 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PLA2G4A P47712 1/20 0.56
SLC2A1 P11166 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LTA4H P09960 1/20 0.54

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
SCHEMBL3001656 1.00 TP53 (0.65) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL3001402 1.00 TP53 (0.65) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL5033563 0.98 TP53 (0.62) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL12243086 0.95 RARB (0.68) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL12243087 0.95 RARB (0.68) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL5033226 0.94 GAA (0.56) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL12243089 0.93 RARB (0.65) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL17253328 0.93 RARB (0.65) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL12243091 0.87 RARB (0.55) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL9781935 0.87 L3MBTL1 (0.56) TP53TSHRPLA2G4BGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858875-A2 ANETHOLE DITHIOLETHIONE AND OTHER DITHIOLETHIONES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH DYSFUNCTION OF MONOAMINE NEUROTRANSMISSION Solvay Pharmaceuticals B.V. (NL) 2007-11-28 EP disclosed
US-20060194971-A1 Anethole dithiolethione and other dithiolethiones for the treatment of conditions associated with dysfunction of monoamine neruotransmission SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-31 US disclosed
WO-2006089861-A2 ANETHOLE DITHIOLETHIONE AND OTHER DITHIOLETHIONES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH DYSFUNCTION OF MONOAMINE NEUROTRANSMISSION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-31 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-20060194971-A1 Anethole dithiolethione and other dithiolethiones for the treatment of conditions associated with dysfunction of monoamine neruotransmission MAOB, MAOA, DAO TP53 4480/4885TSHR 1381/4885PLA2G4B 1328/4885

“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.