SCHEMBL4157974

SCHEMBL4157974

BrCCCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 4/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL22651496 1.00 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL26625904 0.98 KMT2A (0.61) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28156338 0.93 KMT2A (0.63) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5396109 0.91 MEN1 (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL6412633 0.91 KMT2A (0.69) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28342960 0.85 KMT2A (0.57) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29597648 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL700680 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
Pyrene SCHEMBL3424787 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL24045676 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054368-A1 Substituted gemini surfactant compounds UNIVERSITY OF SASKATCHEWAN (CA) 2009-02-26 US 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-20090054368-A1 Substituted gemini surfactant compounds GMNN, GEMIN4, GEMIN5 KMT2A 2387/4885MEN1 2878/4885ALDH1A1 3191/4885

“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.