SCHEMBL12422828

SCHEMBL12422828

C(=C(c1ccccc1)c1ccccc1)N(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
OPRM1 P35372 7/20 0.40
OPRD1 P41143 7/20 0.40
OPRK1 P41145 7/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL12422831 0.77 CYP19A1 (0.41) OPRD1
SCHEMBL12422833 0.75 HPGD (0.49) SMN1; SMN2
SCHEMBL12422829 0.74 CHRM3 (0.32)
SCHEMBL5300153 0.69 HDAC1 (0.53) HDAC1HDAC6OPRM1OPRD1PTGES
SCHEMBL12422795 0.69 ALDH1A1 (0.40) HDAC1HDAC6SMN1; SMN2MTNR1AMTNR1B
SCHEMBL19359235 0.68 SMN1; SMN2 (0.38) HDAC1HDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL19359234 0.68 SMN1; SMN2 (0.38) HDAC1HDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL19380819 0.68 SMN1; SMN2 (0.38) HDAC1HDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL7761513 0.68 HSD11B1 (0.54) HDAC1HDAC6EPHX2MTNR1AKMT2A
SCHEMBL29172966 0.67 HDAC1 (0.46) HDAC1HDAC6OPRM1OPRD1PTGES

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
US-7977020-B2 Electrophotographic photoreceptor containing enamine compound, image formation apparatus provided with the same, enamine compound and method for producing the same SHARP KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-7977020-B2 Electrophotographic photoreceptor containing enamine compound, image formation apparatus provided with the same, enamine compound and method for producing the same SHARP KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-20080286671-A1 Electrophotographic photoreceptor containing enamine compound, image formation apparatus provided with the same, enamine compound and method for producing the same SHARP KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed
US-20080286671-A1 Electrophotographic photoreceptor containing enamine compound, image formation apparatus provided with the same, enamine compound and method for producing the same SHARP KABUSHIKI KAISHA (JP) 2008-11-20 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-20080286671-A1 Electrophotographic photoreceptor containing enamine compound, image formation apparatus provided with the same, enamine compound and method for producing the same SLC1A2, SLC1A1, SLC18A1 HDAC1 4071/4885HDAC6 3701/4885OPRM1 2333/4885

“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.