SCHEMBL20045217

SCHEMBL20045217

CCCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/O)CCC2)C(C)(C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
APP P05067 4/20 0.47
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PRMT1 Q99873 4/20 0.36
PRMT5 O14744 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
HTR1A P08908 1/20 0.33
FOLR1 P15328 4/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
HTT P42858 2/20 0.32
RECQL P46063 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
S1PR2 O95136 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
SCHEMBL19485425 0.88 MAPT (0.51) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL19485423 0.83 MAPT (0.46) MAPTAPPHDAC3HDAC1HDAC6
SCHEMBL12713683 0.82 PRMT1 (0.53) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL13898267 0.82 PRMT1 (0.45) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL14597380 0.81 PRMT1 (0.52) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL31673509 0.81 PRMT1 (0.52) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL14597383 0.81 PRMT1 (0.52) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL13898147 0.81 PRMT1 (0.52) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL12364494 0.79 PRMT1 (0.53) MAPTAPPPRMT1PRMT5CARM1
SCHEMBL5181135 0.79 PRMT1 (0.53) MAPTAPPPRMT1PRMT5CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099934-A1 PSMA-TARGETED NIR DYES AND THEIR USES On Target Laboratories, Inc. 2018-04-12 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-20180099934-A1 PSMA-TARGETED NIR DYES AND THEIR USES FOLH1, KLK3, PSMA6 MAPT 969/4885APP 1615/4885HDAC3 2789/4885

“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.