SCHEMBL14729702

SCHEMBL14729702

FC(F)Oc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.46
MAP4K4 O95819 1/20 0.43
MPO P05164 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PTGER1 P34995 1/20 0.39
ALKBH1 Q13686 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL14729701 0.88 MEN1 (0.46) PDE4BMRGPRX4ALDH1A1MAPTKMT2A
SCHEMBL14729653 0.86 ATR (0.43) MRGPRX4KDM4EALDH1A1MAPTHPGD
SCHEMBL14729731 0.83 MRGPRX4 (0.41) PDE4BMRGPRX4ALDH1A1MAPTHPGD
SCHEMBL14729707 0.82 SQOR (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL14729690 0.81 EGFR (0.45) MAP4K4MPOMAPTLMNAPTGER1
SCHEMBL14719444 0.79 ACACB (0.41) PDE4BMPOMRGPRX4ALKBH1F2RL3
SCHEMBL14729657 0.79 PTGER1 (0.46) KDM4EHPGDPTGER1
SCHEMBL14729714 0.78 PTPN1 (0.50) MRGPRX4
SCHEMBL14729696 0.76 MAOB (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL14729677 0.76 SMN1; SMN2 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1

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-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 PDE4B 146/4885MAP4K4 3474/4885MPO 2542/4885

“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.