SCHEMBL86309

SCHEMBL86309

CN1Cc2ccc(Cl)cc2C(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
CES1 P23141 4/20 0.40
OPRK1 P41145 2/20 0.40
TTR P02766 1/20 0.40
NR1I2 O75469 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
PTGS2 P35354 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE4D Q08499 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL86299 0.82 MAOA (0.50) LMNAALDH1A1ALDH2ALDH3A1CES1
SCHEMBL91647 0.80 ALDH1A1 (0.42) S100A4ALDH1A1ALDH2ALDH3A1DRD2
Ethylene SCHEMBL7815591 0.80 MAOA (0.47) LMNAALDH1A1ALDH2ALDH3A1CES1
SCHEMBL87091 0.79 S100A4 (0.41) S100A4ALDH1A1ALDH2ALDH3A1DRD2
SCHEMBL13213025 0.76 GABRG2 (0.47) HTR2CGABRA1GABRG2GABRB3GABRA5
SCHEMBL11464142 0.76 AKR1B1 (0.44) ALDH1A1ALDH2ALDH3A1
SCHEMBL85938 0.75 HSD17B3 (0.41) S100A4HSD17B3KCNA3KCNN4
SCHEMBL6387824 0.73 L3MBTL1 (0.64) S100A4LMNAALDH1A1SMN1; SMN2CES1
SCHEMBL6899110 0.73 MAOA (0.67) S100A4ALDH1A1DRD2DRD4CES1
SCHEMBL29515603 0.72 CA9 (0.47) S100A4LMNAALDH1A1SMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
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-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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 S100A4 1083/4885LMNA 3581/4885ALDH1A1 440/4885

“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.