SCHEMBL3269935

SCHEMBL3269935

C=CCCCO.c1ccc2c(c1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NAMPT P43490 1/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCC4 O15439 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CD69 Q07108 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
SCHEMBL30955 0.75
Bromide SCHEMBL899944 0.74 ALDH1A1 (0.34) MAPTALDH1A1USP2HPGDTDP1
SCHEMBL8716884 0.72 TSHR (0.50) MAPTNAMPTCYP1A2DRD2DRD1
SCHEMBL8853321 0.72
SCHEMBL5516098 0.72
Ammonia Solution, Strong SCHEMBL897323 0.72
SCHEMBL3971014 0.71 NAMPT (0.52) NAMPT
Oxybate SCHEMBL8707092 0.69 CAMK2A (0.58) MAPTADRA1AALDH1A1TDP1L3MBTL1
SCHEMBL28541225 0.68 CYP1A2 (0.42) MAPTADRA1AALDH1A1CYP1A2DRD2
Alcohol SCHEMBL15798418 0.68

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-1414833-B1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS SALTIGO GMBH (DE) 2010-06-16 EP disclosed
US-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions BAYER CHEMICALS AG (DE) 2004-09-09 US disclosed
EP-1414833-A1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS Bayer Chemicals AG (DE) 2004-05-06 EP disclosed
WO-2003011875-A1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS BAYER CHEMICALS AG (DE) 2003-02-13 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-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions AP1M1, SOD1, INTS9 MAPT 2516/4885NAMPT 2267/4885ADRA1D 4797/4885

“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.