SCHEMBL5253754

SCHEMBL5253754

Cc1cccc(C[Mg]I)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
IDO1 P14902 2/20 0.48
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CTBP2 P56545 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL559361 0.78 TAAR1 (0.55) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL933385 0.78 TAAR1 (0.50) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL95653 0.75
SCHEMBL5675646 0.75
SCHEMBL29596752 0.74 TAAR1 (0.74) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL30000562 0.74 TAAR1 (0.60) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL1263547 0.74 TAAR1 (0.60) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL29459538 0.74 TAAR1 (0.60) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL8096473 0.74 TAAR1 (0.74) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL5250957 0.72 LPL (0.45)

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 TAAR1 77/4885IDO1 114/4885ACHE 2710/4885

“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.