SCHEMBL12973185

SCHEMBL12973185

C[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GAPDH P04406 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL18521255 1.00 ALDH1A1 (0.48) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL13607677 1.00 ALDH1A1 (0.48) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL19326428 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL21015462 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL13171302 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL10017441 0.87 LGALS9 (0.38) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL10048538 0.87 LGALS9 (0.46) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL13607676 0.86 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL6369092 0.86 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL1030464 0.86 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1SLC6A2SLC6A3

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-7858761-B2 1-α-halo-2,2-difluoro-2-deoxy-D-ribofuranose derivatives and process for the preparation thereof HANMI PHARM. CO., LTD (KR) 2010-12-28 — — US disclosed
US-20070238865-A1 intermediates in preparation of gemcitabine in large scale; reducing 1-oxoribose compound to obtain actol compound, reacting with halophosphate compound in presence of base to obtain a 1-phosphate furanose derivative, reacting with halide source, then crystallizing HANMI PHARM CO., LTD (KR) 2007-10-11 — — 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-20070238865-A1 intermediates in preparation of gemcitabine in large scale; reducing 1-oxoribose compound to obtain actol compound, reacting with halophosphate compound in presence of base to obtain a 1-phosphate furanose derivative, reacting with halide source, then crystallizing DCTPP1, NUDT1, TYMP ALDH1A1 914/4885KMT2A 3562/4885TDP1 373/4885

“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.

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