SCHEMBL4841407

SCHEMBL4841407

FC(F)(F)c1ccc(B2OCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.38
ORAI2 Q96SN7 2/20 0.38
ORAI3 Q9BRQ5 2/20 0.38
TRPV6 Q9H1D0 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KIF11 P52732 4/20 0.37
EPHX2 P34913 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MGLL Q99685 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM1A O60341 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL31336215 0.84 EPHX2 (0.39) ALDH1A1EPHX2HTR2CAKR1C3HIF1A
SCHEMBL4374187 0.81 LPL (0.30)
SCHEMBL7859828 0.79 CES2 (0.44) ORAI1ORAI2ORAI3TRPV6ALDH1A1
SCHEMBL14052906 0.79 SNCA (0.38) ALDH1A1TSHRKIF11MAOAMAOB
SCHEMBL6692161 0.78 CES2 (0.35) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL13567247 0.78 TSHR (0.41) ALDH1A1TSHRKIF11
SCHEMBL500833 0.75 LPL (0.45) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL14986077 0.74 EPHX2 (0.42) ALDH1A1TSHREPHX2
SCHEMBL18661265 0.74 MAPT (0.38) ALDH1A1
SCHEMBL10379691 0.72 ALDH1A1 (0.41) ORAI1ORAI2ORAI3TRPV6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
US-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2006-04-27 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-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators LIPA, PNLIP, CEL ORAI1 756/4885ORAI2 3523/4885ORAI3 2874/4885

“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.