SCHEMBL13258015

SCHEMBL13258015

CC(C)Oc1ccc(CBr)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
FFAR4 Q5NUL3 12/20 0.39
KMT2A Q03164 1/20 0.39
PARP10 Q53GL7 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
HTR2A P28223 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL1287536 0.85 GPR6 (0.36) ALDH1A1KMT2A
SCHEMBL12187714 0.85 ALDH1A1 (0.44) ALDH1A1POLBFFAR4KMT2APARP10
SCHEMBL3677716 0.81 KDM1A (0.44) POLBHTR2A
SCHEMBL17423546 0.80 FFAR4 (0.45) ALDH1A1POLBFFAR4KMT2APARP10
SCHEMBL3723675 0.79 ALDH1A1 (0.42) ALDH1A1POLBFFAR4KMT2APARP10
SCHEMBL3721184 0.79 ALDH1A1 (0.42) ALDH1A1POLBKMT2APARP10BRD4
SCHEMBL20766785 0.78 POLB (0.45) ALDH1A1POLBFFAR4KMT2APARP10
SCHEMBL30523689 0.78 POLB (0.45) ALDH1A1POLBFFAR4KMT2APARP10
SCHEMBL8619804 0.78 FFAR1 (0.55) ALDH1A1POLBFFAR4FFAR1
SCHEMBL1020456 0.78 ALDH1A1 (0.47) ALDH1A1POLBFFAR4KMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 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-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME SLC5A1, SLC5A2, UGGT1 ALDH1A1 1483/4885POLB 4335/4885FFAR4 844/4885

“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.