SCHEMBL7589217

SCHEMBL7589217

[CH2]Cc1ccc(N(CC)CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
GFER P55789 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
RECQL P46063 2/20 0.54
PSMD14 O00487 1/20 0.54
CYP3A4 P08684 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CNR2 P34972 4/20 0.53
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 2/20 0.45

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
SCHEMBL1735497 0.82 ALDH1A1 (0.74) ALDH1A1GFERL3MBTL1MAPK1TSHR
SCHEMBL4407612 0.80 AOC3 (0.59) ALDH1A1GFERL3MBTL1MAPK1TSHR
SCHEMBL1655689 0.80 ALDH1A1 (0.60) ALDH1A1GFERL3MBTL1MAPK1TSHR
SCHEMBL96331 0.80 ALDH1A1 (0.58) ALDH1A1GFERL3MBTL1MAPK1TSHR
SCHEMBL4403062 0.80 ALDH1A1 (0.58) ALDH1A1GFERL3MBTL1MAPK1TSHR
Formaldehyde SCHEMBL28197258 0.79 ALDH1A1 (0.65) ALDH1A1GFERL3MBTL1MAPK1TSHR
Hydrochloric Acid SCHEMBL8046149 0.79 ALDH1A1 (0.70) ALDH1A1GFERL3MBTL1MAPK1TSHR
Hydrochloric Acid SCHEMBL8046146 0.79 ALDH1A1 (0.70) ALDH1A1GFERL3MBTL1MAPK1TSHR
SCHEMBL11803617 0.79 NR1H2 (0.42) ALDH1A1CNR2KDM4EMAPTGAA
SCHEMBL1972710 0.76 ALDH1A1 (0.67) ALDH1A1GFERL3MBTL1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-27 US disclosed
WO-2020118036-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-06-11 WO disclosed
EP-0844269-B1 BLOCK COPOLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS KATAOKA KAZUNORI (JP) 2002-10-23 EP disclosed
US-5929177-A LIVING POLYMER WITH HYDROPHILIC, HYDROPHOBIC SEGMENTS Kataoka, Kazunori (JP) 1999-07-27 US disclosed
EP-0844269-A1 BLOCK POLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS Kataoka, Kazunori (JP) 1998-05-27 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-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CLPP, SPOUT1, MRPL21 ALDH1A1 2700/4885GFER 1344/4885L3MBTL1 252/4885

“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.