SCHEMBL5249846

SCHEMBL5249846

CC(C)Oc1ccccc1C[Mg]Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ACHE P22303 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5248188 0.83 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2IRAK4TP53
SCHEMBL5251549 0.83 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2IRAK4TP53
SCHEMBL694395 0.82 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2IRAK4TP53
SCHEMBL29643214 0.82 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2IRAK4TP53
SCHEMBL5249905 0.78 CACNA1G (0.40) SLC6A2SLC6A4KCNH2MAPTALDH1A1
SCHEMBL1093645 0.78 IDO1 (0.53) MAPTALDH1A1ACHESMN1; SMN2KDM4E
SCHEMBL5412735 0.78 ADRA2A (0.51) SLC6A2SLC6A4KCNH2IRAK4TP53
SCHEMBL31737743 0.78 IDO1 (0.53) MAPTALDH1A1ACHESMN1; SMN2KDM4E
SCHEMBL11043132 0.76 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2IRAK4TP53
SCHEMBL5414155 0.76 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2IRAK4TP53

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-1369405-B1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL CO (JP) 2007-09-19 EP disclosed
US-6861566-B2 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-01 US disclosed
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-20 US disclosed
EP-1369405-A1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-10 EP 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-20040097763-A1 Process for producing 1-chloro-4-arylbutane CYP1B1, CBR1, CYP1A1 SLC6A2 4285/4885SLC6A4 3771/4885KCNH2 338/4885

“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.