SCHEMBL13380263

SCHEMBL13380263

CC1CC(C)C(OC(=O)C2=C(c3ccccc3)/C(=C/c3[nH]c(NC(=O)c4cccc(C(F)(F)F)c4)c(C(=O)OC4C(C)CC(C)CC4C)c3-c3ccccc3)N=C2NC(=O)c2cccc(C(F)(F)F)c2)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ADCY1 Q08828 1/20 0.34
LMNA P02545 1/20 0.34
KCNK3 O14649 1/20 0.33
MAPT P10636 3/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
GAA P10253 1/20 0.33
KIF11 P52732 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL13380249 0.86 ALDH1A1 (0.41) ALDH1A1ADCY1LMNAKCNK3MAPT
SCHEMBL13380259 0.85 TAS1R3 (0.36) LMNAKCNK3CCNA2CDK2CCNA1
SCHEMBL13380252 0.82
SCHEMBL13380256 0.77 MEN1 (0.40) LMNAKCNK3MAPTCCNA2CDK2
SCHEMBL13380253 0.76
SCHEMBL13380264 0.75 ALDH1A1 (0.48) ALDH1A1ADCY1LMNAKCNK3MAPT
SCHEMBL15448981 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13380260 0.72 GAA (0.45) LMNAKCNK3MAPTCCNA2CDK2
SCHEMBL9913949 0.70
SCHEMBL9888920 0.58

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-8343696-B2 Colored curable composition, fluorine-containing dipyrromethene compound and tautomer thereof, and fluorine-containing dipyrromethene metal complex and tautomer thereof, and color filter using the same and method for producing the color filter FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20100081071-A1 COLORED CURABLE COMPOSITION, FLUORINE-CONTAINING DIPYRROMETHENE COMPOUND AND TAUTOMER THEREOF, AND FLUORINE-CONTAINING DIPYRROMETHENE METAL COMPLEX AND TAUTOMER THEREOF, AND COLOR FILTER USING THE SAME AND METHOD FOR PRODUCING THE COLOR FILTER FUJIFILM CORPORATION (JP) 2010-04-01 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-20100081071-A1 COLORED CURABLE COMPOSITION, FLUORINE-CONTAINING DIPYRROMETHENE COMPOUND AND TAUTOMER THEREOF, AND FLUORINE-CONTAINING DIPYRROMETHENE METAL COMPLEX AND TAUTOMER THEREOF, AND COLOR FILTER USING THE SAME AND METHOD FOR PRODUCING THE COLOR FILTER SCO2, TDO2, FTH1 ALDH1A1 1144/4885ADCY1 2672/4885LMNA 3670/4885

“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.