SCHEMBL20227073

SCHEMBL20227073

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PRKCA P17252 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL20227072 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26290153 0.79 LMNA (0.44) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL17860796 0.78 ALDH1A1 (0.41) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL18669821 0.75 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL16647588 0.74 ALDH1A1 (0.39) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL16644554 0.74 ALDH1A1 (0.39) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL19866627 0.73 ALDH1A1 (0.38) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL18877386 0.73 GAA (0.38) ALDH1A1TDP1KMT2ALMNAPRKCA
SCHEMBL18877385 0.72 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1LMNANPC1
SCHEMBL17863953 0.72 MAPT (0.41) ALDH1A1TDP1KMT2AMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-06-07 — — 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-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 ALDH1A1 2737/4885TDP1 354/4885KMT2A 3572/4885

“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.

Send feedback