SCHEMBL5689116

SCHEMBL5689116

CCCCCCCCCCCCOc1ccc(C=O)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.77
▸ MAPT P10636 10/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ LMNA P02545 3/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ ALDH1A1 P00352 13/20 0.62
▸ TSHR P16473 1/20 0.62
▸ CYP2C9 P11712 3/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ HPGD P15428 7/20 0.58
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL30360548 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL30360545 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL30360547 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL30360546 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL2818009 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL8907835 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL30360543 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL8310250 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL10417162 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL3041624 1.00 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023046766-A1 NOVEL SULFONATE COMPOUNDS KARL FRANZENS UNIVERSITÄT GRAZ (AT) 2023-03-30 — — WO disclosed
EP-1265483-B1 USE OF PHENYLETHYLAMINE DERIVATIVES FOR THE ANITMICROBIAL TREATMENT OF SURFACES CIBA SC HOLDING AG (CH) 2006-03-29 — — EP disclosed
US-6846492-B2 Use of phenylethylamine derivatives for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-25 — — US disclosed
US-20040006061-A1 Alkoxybenzylamine CIBA SPECIALTY CHEMICALS CORP. 2004-01-08 — — US disclosed
US-20030207884-A1 Use of phenylethylamine derivatives for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORP. 2003-11-06 — — US disclosed
EP-1300402-A1 Alkoxybenzylamines with antimicrobial properties Ciba SC Holding AG (CH) 2003-04-09 — — EP disclosed
EP-1265483-A2 USE OF PHENYLETHYLAMINE DERIVATIVES FOR THE ANITMICROBIAL TREATMENT OF SURFACES Ciba SC Holding AG (CH) 2002-12-18 — — EP disclosed
WO-2001062082-A2 USE OF PHENYLETHYLAMINE DERIVATIVES FOR THE ANITMICROBIAL TREATMENT OF SURFACES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-30 — — WO disclosed
EP-1004623-A1 Aryl thioacetals useful as stabilizers in polymeric materials GREAT LAKES CHEMICAL CORPORATION (US) 2000-05-31 — — EP disclosed
US-4598150-A Chromogenic 1-(3-methoxy-4-alkoxyphenyl)-2-(2'-quinolyl)ethylene compounds YAMADA CHEMICAL CO. LTD (JP) 1986-07-01 — — US 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 (2 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-20030207884-A1 Use of phenylethylamine derivatives for the antimicrobial treatment of surfaces CLTC, TUBA3C, AOC1 FDPS 3950/4885MAPT 4834/4885SMN1; SMN2 4757/4885
US-20040006061-A1 Alkoxybenzylamine CLTC, CBR1, DDC FDPS 4788/4885MAPT 4827/4885SMN1; SMN2 4447/4885

“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.

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