SCHEMBL15939331

SCHEMBL15939331

c1ccc(OCN2CCCC2c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
CHRNA7 P36544 4/20 0.57
CHRNB2 P17787 4/20 0.57
CHRNA4 P43681 4/20 0.57
CHRNB4 P30926 3/20 0.57
CHRNA3 P32297 3/20 0.57
CHRNA2 Q15822 2/20 0.57
CHRNA1 P02708 2/20 0.57
CHRNB1 P11230 2/20 0.57
CHRNB3 Q05901 2/20 0.57
LMNA P02545 1/20 0.57
HTR3E A5X5Y0 1/20 0.57
PSIP1 O75475 1/20 0.57
TRPA1 O75762 1/20 0.57
HTR3B O95264 1/20 0.57

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
SCHEMBL28503664 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL29683884 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL28502868 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL28508997 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL157171 0.78 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL2683364 0.78 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL20590950 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL3369061 0.78 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL854070 0.78 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL28497766 0.78 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1KMT2AMEN1

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-20140227366-A1 CARRIER MATERIAL FOR IMPROVING THE PERSISTANCE OF BIOCIDES ARPOLITH GMBH (DE) 2014-08-14 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-20140227366-A1 CARRIER MATERIAL FOR IMPROVING THE PERSISTANCE OF BIOCIDES BSG, PGLS, GUSB ALDH1A1 3081/4885KDM4E 989/4885TDP1 3300/4885

“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.