SCHEMBL4151743

SCHEMBL4151743

O=C(OCC1(CF)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.44
F2 P00734 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9269862 0.90 TDP1 (0.55) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8496636 0.85 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL20288884 0.83 LMNA (0.54) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL1713120 0.81 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL20288431 0.80 TDP1 (0.45) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8499853 0.80 TDP1 (0.45) TDP1KMT2AMAPK1HIF1ASLC6A2
Hydrochloric Acid SCHEMBL20267369 0.78 TDP1 (0.44) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL12425826 0.78 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL11508409 0.78 TDP1 (0.46) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL652811 0.77 LMNA (0.44) TDP1KMT2AMAPK1HIF1ASLC6A2

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 TDP1 1063/4885KMT2A 1961/4885MAPK1 3367/4885

“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.