SCHEMBL5498418

SCHEMBL5498418

CCC(O)c1ccc(C=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.38
PDE2A O00408 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
ERN1 O75460 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL13537109 0.81 TYR (0.49) TYRLMNASHBGADRA2BAKR1C3
SCHEMBL14373886 0.78 LMNA (0.48) LMNASHBGPDE2AADRB1ADRA2A
SCHEMBL16560286 0.78 LMNA (0.48) LMNASHBGPDE2AADRB1ADRA2A
SCHEMBL808662 0.78 LMNA (0.48) LMNASHBGPDE2AADRB1ADRA2A
SCHEMBL30454596 0.78 LMNA (0.48) LMNASHBGPDE2AADRB1ADRA2A
SCHEMBL9945899 0.77 TYR (0.61) TYRLMNAERN1ALDH1A1
SCHEMBL1246658 0.77 TYR (0.45) TYRLMNAADRA2BAKR1C3AKR1C2
SCHEMBL20202580 0.75 LMNA (0.45) LMNASHBGPDE2AADRB1ADRA2A
SCHEMBL1349496 0.74 TYR (0.44) TYRLMNAADRA2BAKR1C3AKR1C2
SCHEMBL18406260 0.74 LMNA (0.44) LMNASHBGPDE2AADRB1ADRA2A

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
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B TYR 1103/4885LMNA 3287/4885SHBG 19/4885

“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.