SCHEMBL2580469

SCHEMBL2580469

Fc1cccc2cc3cc4ccccc4cc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 4/20 0.42
HIF1A Q16665 2/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP1A2 P05177 5/20 0.41
CYP2A6 P11509 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL27834497 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
Fluoride SCHEMBL27626812 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL5179135 0.98 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL27465326 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL31257785 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL3671771 0.87 CYP1A2 (0.40) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL27923401 0.87 CYP1A2 (0.56) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL30854778 0.87 CYP1A2 (0.56) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL20782776 0.84 CYP2A6 (0.52) ALDH1A1KDM4EGAAHSD17B10HIF1A
Guanidine SCHEMBL7034774 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234506-A1 PROCESS FOR THE PREPARATION OF FLUOROTETRAENE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-09-25 US claimed
US-8049021-B2 Fluorination; catalytic acetylation DR. REDDY'S LABORATORIES LIMITED (IN) 2011-11-01 US disclosed
US-8049021-B2 Fluorination; catalytic acetylation DR. REDDY'S LABORATORIES LIMITED (IN) 2011-11-01 US disclosed
US-20080234506-A1 PROCESS FOR THE PREPARATION OF FLUOROTETRAENE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-09-25 US disclosed
EP-0436474-A1 New fluoro-naphtacenediones, their glycosilated derivatives and methods of making them A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1991-07-10 EP disclosed
CN-1052659-A New fluoro-tetracene diketone, its glycosidation derivant and preparation method thereof MENARINI FARMA IND (IT) 1991-07-03 CN disclosed
CN-1052659-A New fluoro-tetracene diketone, its glycosidation derivant and preparation method thereof MENARINI FARMA IND (IT) 1991-07-03 CN disclosed
CN-1052659-A New fluoro-tetracene diketone, its glycosidation derivant and preparation method thereof MENARINI FARMA IND (IT) 1991-07-03 CN 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-20080234506-A1 PROCESS FOR THE PREPARATION OF FLUOROTETRAENE CYP17A1, CYP21A2, CYP19A1 ALDH1A1 193/4885KDM4E 4466/4885GAA 2739/4885

“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.