SCHEMBL2328093

SCHEMBL2328093

O=CCCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.58
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
MAOA P21397 2/20 0.36
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MIF P14174 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K9 P80192 1/20 0.33

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
SCHEMBL5366733 0.84 PNMT (0.72) PNMTDRD2DRD4DRD3NPC1
SCHEMBL123076 0.83 PNMT (0.62) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6558685 0.83 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7603814 0.83 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL9859906 0.83 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7609046 0.83 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL27465550 0.81 PNMT (0.64) PNMTDRD2DRD4DRD3NPC1
SCHEMBL10749134 0.81 PNMT (0.64) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6674911 0.81 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5348072 0.81 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1

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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP 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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 PNMT 47/4885DRD2 231/4885DRD4 411/4885

“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.