SCHEMBL3208841

SCHEMBL3208841

COC(=O)C(OC(C)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.54
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
ADAM17 P78536 1/20 0.46
S1PR1 P21453 1/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
S1PR5 Q9H228 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC26A4 O43511 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAM33 Q9BZ11 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3208831 1.00 FFAR1 (0.54) FFAR1MAOBMAOAADAM17S1PR1
SCHEMBL1151924 0.83 FFAR1 (0.58) FFAR1MAOBMAOAADAM17S1PR1
SCHEMBL1151928 0.83 FFAR1 (0.58) FFAR1MAOBMAOAADAM17S1PR1
SCHEMBL3214630 0.83 FFAR1 (0.58) FFAR1MAOBMAOAADAM17S1PR1
SCHEMBL1151128 0.76 FFAR1 (0.58) FFAR1MAOBMAOAS1PR1HTR2A
SCHEMBL14216112 0.75 NPC1 (0.65) FFAR1MAOBMAOAADAM17S1PR1
SCHEMBL365812 0.75 NPC1 (0.64) FFAR1MAOBMAOAADAM17S1PR1
SCHEMBL540059 0.74 MAOB (0.70) MAOBMAOAS1PR1HTR2AKCNH2
SCHEMBL1152037 0.74 FFAR1 (0.61) FFAR1MAOBMAOAS1PR1HTR2A
SCHEMBL1151518 0.74 FFAR1 (0.58) FFAR1MAOBMAOAADAM17S1PR1

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
EP-2077987-B1 MANDELIC ACID DERIVATIVES AND PREPARATION THEREOF TRANSTECH PHARMA INC (US) 2010-11-24 EP disclosed
US-20100036150-A1 MANDELIC ACID DERIVATIVES AND PREPARATION THEREOF TRANSTECH PHARMA, INC. 2010-02-11 US disclosed
EP-2077987-A1 MANDELIC ACID DERIVATIVES AND PREPARATION THEREOF Transtech Pharma, Inc. (US) 2009-07-15 EP disclosed
WO-2008051563-A1 MANDELIC ACID DERIVATIVES AND PREPARATION THEREOF TRANSTECH PHARMA, INC. (US) 2008-05-02 WO 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-20100036150-A1 MANDELIC ACID DERIVATIVES AND PREPARATION THEREOF CYP8B1, CYP51A1, COMT FFAR1 1313/4885MAOB 85/4885MAOA 56/4885

“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.