SCHEMBL17860796

SCHEMBL17860796

O=C(OC[C@@]1(C(F)F)OC(O)[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ PRKCA P17252 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ F2 P00734 1/20 0.34

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
SCHEMBL17863956 0.80 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL20227073 0.78 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16647588 0.78 ALDH1A1 (0.39) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16644554 0.78 ALDH1A1 (0.39) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL26661800 0.77 MAPK1 (0.43) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL19866627 0.77 ALDH1A1 (0.38) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL17863953 0.75 MAPT (0.41) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL17860797 0.75 MAPT (0.41) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16644528 0.74 ALDH1A1 (0.39) ALDH1A1TDP1MAPK1HIF1ASLC6A2
SCHEMBL16644530 0.74 ALDH1A1 (0.36) ALDH1A1TDP1MAPK1HIF1ASLC6A2

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
WO-2016100569-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2016-06-23 — — WO disclosed
US-20160176910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2016-06-23 — — 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-20160176910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 ALDH1A1 2737/4885TDP1 354/4885MAPK1 4080/4885

“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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