SCHEMBL4558808

SCHEMBL4558808

C=CCN1C=CN(CC=C)C1=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NSD2 O96028 1/20 0.33
THRB P10828 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
SCHEMBL4509613 0.65 CYP3A4 (0.36) ADRA1DADRA1AADRA1BKMT2AMAPT
SCHEMBL8058921 0.63 ALDH1A1 (0.44) ALDH1A1ADRA1DADRA1AADRA1BKMT2A
SCHEMBL87669 0.60 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMEN1LMNA
Styrene SCHEMBL20153440 0.58 ALDH1A1 (0.74) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL369600 0.58 GAA (0.49) ALDH1A1TSHRADRA1DADRA1AADRA1B
SCHEMBL25400816 0.58 HPGD (0.48) ALDH1A1TSHRKMT2AMEN1MAPT
Styrene SCHEMBL10892600 0.58 ALDH1A1 (1.00) ALDH1A1TSHRKMT2AMEN1MAPT
Styrene SCHEMBL11144289 0.58 ALDH1A1 (1.00) ALDH1A1TSHRKMT2AMEN1MAPT
Styrene SCHEMBL9776790 0.58 ALDH1A1 (1.00) ALDH1A1TSHRKMT2AMEN1MAPT
Styrene SCHEMBL369036 0.58 ALDH1A1 (1.00) ALDH1A1TSHRKMT2AMEN1MAPT

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-8669114-B2 Hydrophobic ionic liquids PHILIPPS-UNIVERSITAET MARBURG (DE) 2014-03-11 US disclosed
US-20090298189-A1 Hydrophobic Ionic Liquids PHILIPPS-UNIVERSITAT MARBURG (DE) 2009-12-03 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-20090298189-A1 Hydrophobic Ionic Liquids KCNH3, KCNH2, KCNC1 ALDH1A1 3239/4885TSHR 2038/4885ADRA1D 3676/4885

“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.