SCHEMBL1472532

SCHEMBL1472532

CCCCC(CC)CN(CCCCCCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
CNR2 P34972 3/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 3/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35

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
SCHEMBL11904607 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ECYP3A4CA2NPC1
SCHEMBL8438809 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4CA2CNR2
SCHEMBL8440732 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4CA2CNR2
SCHEMBL411184 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4CA2PRSS1
SCHEMBL8435861 0.83 KCNH2 (0.45) ALDH1A1KDM4ECNR2
Hydrochloric Acid SCHEMBL11413011 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ECYP3A4CA2PRSS1
SCHEMBL1472375 0.82 PPARG (0.44) ALDH1A1KDM4ECYP3A4CA2NPC1
SCHEMBL1472666 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ECYP3A4CA2NPC1
SCHEMBL8438717 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ECYP3A4CA2CNR2
SCHEMBL1812804 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ECYP3A4CA2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-09-10 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-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE KISS1R, CROCC, DBN1 ALDH1A1 763/4885KDM4E 4384/4885CYP3A4 242/4885

“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.