SCHEMBL784606

SCHEMBL784606

CC(C)n1c(F)c(C(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
EGFR P00533 2/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPY5R Q15761 1/20 0.43
GAA P10253 1/20 0.43
AGTR1 P30556 4/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL784032 0.86 POLB (0.48) POLBHTTEGFRNPY5RMAPT
SCHEMBL16345505 0.82 KDM4E (0.61) POLBHTTEGFRKDM4EALDH1A1
SCHEMBL28246406 0.78 EGFR (0.63) POLBHTTEGFRKDM4EALDH1A1
SCHEMBL12168225 0.76 POLB (0.62) POLBHTTEGFRKDM4EALDH1A1
SCHEMBL17423697 0.76 EGFR (0.47) POLBEGFRKDM4EALDH1A1HPGD
SCHEMBL3679414 0.75 AGTR1 (0.51) POLBHTTEGFRKDM4EALDH1A1
SCHEMBL11155930 0.74 SRC (0.51) POLBHTTEGFRKDM4EGAA
SCHEMBL5464803 0.74 POLB (0.59) POLBHTTEGFRKDM4EALDH1A1
SCHEMBL15723809 0.72 POLB (0.61) POLBHTTEGFRKDM4EALDH1A1
SCHEMBL15174921 0.72 KDM4E (0.47) POLBHTTEGFRKDM4EALDH1A1

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-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 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-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP POLB 2388/4885HTT 4273/4885EGFR 3944/4885

“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.