SCHEMBL3084852

SCHEMBL3084852

O=C1[C]CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
CYP2A6 P11509 1/20 0.53
CES1 P23141 2/20 0.48
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
MAPT P10636 3/20 0.41
MIF P14174 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 1/20 0.40
NOS3 P29474 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 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
SCHEMBL4862241 1.00 MAOA (0.53) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL910775 0.88 CES1 (0.52) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL2952083 0.76 MAOA (0.44) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL1451688 0.74 MAOA (0.46) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL11144928 0.72 CES1 (0.73) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL28867674 0.71 MAOA (0.63) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL568779 0.70 TSHR (0.71) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL31430380 0.70 TSHR (0.71) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL30505637 0.70 CYP2A6 (0.68) MAOAMAOBCYP2A6CES1PDPK1
SCHEMBL3103992 0.70 CYP2A6 (0.68) MAOAMAOBCYP2A6CES1PDPK1

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-7794907-B2 Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor SHARP KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
CN-1325469-C Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor SHARP KK (JP) 2007-07-11 CN disclosed
US-20060057481-A1 Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor SHARP KABUSHIKI KAISHA (JP) 2006-03-16 US disclosed
CN-1746153-A Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor SHARP KK (JP) 2006-03-15 CN 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-20060057481-A1 Hydrazone compound, electrophotographic photoreceptor comprising the hydrazone compound, and image forming apparatus equipped with the electrophotographic photoreceptor ALDH1A2, HCN1, HVCN1 MAOA 3176/4885MAOB 3140/4885CYP2A6 2648/4885

“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.