SCHEMBL5820539

SCHEMBL5820539

BrCCCCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.58
DRD2 P14416 3/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTR7 P34969 2/20 0.35
HTR2B P41595 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOA P21397 1/20 0.32
SRD5A2 P31213 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL25217852 0.98 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL29498156 0.98 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL2786272 0.98 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL25200311 0.98 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7939929 0.95 PNMT (0.60) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6675794 0.92 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6676505 0.90 PNMT (0.66) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6674622 0.90 PNMT (0.66) PNMTDRD2DRD4DRD3NPC1
SCHEMBL5355390 0.88 PNMT (0.64) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6674911 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101230399-B Method for detecting DNA methylation CHINESE ACAD INST CHEMISTRY 2010-06-02 CN disclosed
CN-101230399-A Method for detecting DNA methylation CHINESE ACAD INST CHEMISTRY (CN) 2008-07-30 CN disclosed
WO-2006137818-A1 CATALYST COMPONENTS AND THEIR USE IN THE POLYMERIZATION OF OLEFINS FINA TECHNOLOGY, INC. (US) 2006-12-28 WO disclosed
US-20050148460-A1 Catalyst components and their use in the polymerization of olefins FINA TECHNOLOGY, INC. 2005-07-07 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-20050148460-A1 Catalyst components and their use in the polymerization of olefins NPY5R, SSTR5, FGR PNMT 534/4885DRD2 830/4885DRD4 557/4885

“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.