SCHEMBL6538549

SCHEMBL6538549

C=CC(=O)c1ccc(OCCCCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
TSHR P16473 1/20 0.64
THRB P10828 6/20 0.62
THRA P10827 5/20 0.62
PLA2G4B P0C869 5/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
RARB P10826 3/20 0.59
PLA2G4A P47712 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
L3MBTL1 Q9Y468 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
SCHEMBL28657555 0.98 TP53 (0.67) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL27424165 0.97 THRB (0.63) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL14192502 0.92 L3MBTL1 (0.58) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL4577939 0.90 NPC1 (0.66) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL14192484 0.90 GAA (0.59) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL14192473 0.88 THRB (0.72) TP53TSHRTHRBTHRAMEN1
SCHEMBL14192425 0.87 NPC1 (0.62) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL14192458 0.87 THRB (0.73) TP53TSHRTHRBTHRAMEN1
SCHEMBL14192568 0.85 THRA (0.48) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL14192478 0.84 THRB (0.68) TP53TSHRTHRBTHRAMEN1

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
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA TP53 3997/4885TSHR 2112/4885THRB 2786/4885

“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.