SCHEMBL91647

SCHEMBL91647

CCCCN1Cc2ccc(Cl)cc2C(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
CES1 P23141 2/20 0.41
CDC25A P30304 1/20 0.41
DRD2 P14416 3/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
NPY5R Q15761 1/20 0.39
NR3C1 P04150 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
S100A4 P26447 1/20 0.37

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
SCHEMBL86309 0.80 S100A4 (0.44) ALDH1A1ALDH2ALDH3A1CES1DRD2
SCHEMBL5449154 0.73 ALDH1A1 (0.50) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL7843584 0.72 KDM4E (0.44) ALDH1A1CES1DRD2DRD5DRD3
SCHEMBL87091 0.72 S100A4 (0.41) ALDH1A1ALDH2ALDH3A1CES1DRD2
SCHEMBL22291829 0.71 KDM4E (0.60) DRD2DRD5DRD3
SCHEMBL29531631 0.71 KDM4E (0.60) DRD2DRD5DRD3
SCHEMBL5712077 0.70 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL7839080 0.69 CYP2D6 (0.45) ALDH1A1ALDH2ALDH3A1CES1DRD2
SCHEMBL23693996 0.69 ALDH1A1 (0.45) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL21421527 0.68 ADAM17 (0.48) ALDH1A1DRD2DRD5DRD3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 ALDH1A1 440/4885ALDH2 3475/4885ALDH3A1 1421/4885

“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.