SCHEMBL5250953

SCHEMBL5250953

CCCOc1cccc(C[Mg]Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
DHFR P00374 2/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GGPS1 O95749 2/20 0.42
TSHR P16473 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2B P41595 1/20 0.41
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEP1B Q16820 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5246109 0.92 DHFR (0.48) KMT2ADHFRKDM4EALDH1A1GGPS1
SCHEMBL5249859 0.83 KMT2A (0.47) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL5251988 0.83 KMT2A (0.47) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL8906190 0.81 KMT2A (0.51) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL59488 0.80 KDM4E (0.61) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL227516 0.79 TAAR1 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL1047449 0.78 TAAR1 (0.64) KMT2ADHFRTSHRHTR1ACYP2D6
SCHEMBL2931049 0.78 BCHE (0.58) KMT2AKDM4EALDH1A1L3MBTL1
1,3-Dipropoxybenzene SCHEMBL73716 0.78 KMT2A (0.63) KMT2ADHFRKDM4ETSHRCYP3A4
SCHEMBL2932600 0.77 KMT2A (0.51) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2

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 KMT2A 1878/4885DHFR 2543/4885KDM4E 3182/4885

“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.