SCHEMBL12106906

SCHEMBL12106906

CCCN(CC)c1ccc(N=C2C=C(NC(C)=O)C(=O)C(Cl)=C2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.36
ALDH1A1 P00352 5/20 0.33
ESRRG P62508 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 6/20 0.32
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
GAA P10253 4/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 2/20 0.32
POLB P06746 2/20 0.32
NOX1 Q9Y5S8 2/20 0.32
CNR2 P34972 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL56041 0.96 RORC (0.32) GHSRESRRGCNR2
SCHEMBL12106907 0.94 MAPT (0.32) GHSRALDH1A1TSHRMAPTMEN1
SCHEMBL12106921 0.94 ALDH1A1 (0.38) ALDH1A1ESRRGTSHRMAPTMEN1
SCHEMBL12106911 0.91 GHSR (0.36) GHSRALDH1A1ESRRGTSHRMAPT
SCHEMBL12106903 0.84 HDAC3 (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL10000299 0.84 ESRRG (0.32) ESRRGCNR2
SCHEMBL12106917 0.84 MAPT (0.36) ALDH1A1ESRRGTSHRMAPTMEN1
SCHEMBL12106904 0.82 CNR2 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL12106922 0.82 CNR2 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL92428 0.82 MAPT (0.39) ALDH1A1TSHRMAPTMEN1KMT2A

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-8052785-B2 Polymer containing image receiver sheet on support FUJIFILM CORPORATION (JP) 2011-11-08 US disclosed
US-20080242542-A1 INDANILINE DYE, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2008-10-02 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-20080242542-A1 INDANILINE DYE, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, AND COLOR FILTER INMT, TYR, IK GHSR 3378/4885ALDH1A1 401/4885ESRRG 4046/4885

“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.