SCHEMBL4077103

SCHEMBL4077103

OC/C=C/c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
CHEK1 O14757 1/20 0.41
CETP P11597 2/20 0.40
EPOR P19235 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
NFE2L2 Q16236 2/20 0.38
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FBP1 P09467 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4077112 1.00 PIM1 (0.44) PIM1PIM2ALDH1A1CYP3A4RECQL
SCHEMBL2095720 0.84 PIM1 (0.47) PIM1PIM2CHEK1CETPEPOR
SCHEMBL256056 0.84 PIM1 (0.44) PIM1PIM2ALDH1A1CHEK1CHRM2
SCHEMBL8705948 0.84 PIM1 (0.44) PIM1PIM2CHEK1CETPEPOR
SCHEMBL8705946 0.84 PIM1 (0.44) PIM1PIM2CHEK1CETPEPOR
SCHEMBL2095719 0.84 PIM1 (0.47) PIM1PIM2CHEK1CETPEPOR
SCHEMBL27295735 0.84 PIM1 (0.44) PIM1PIM2ALDH1A1CHEK1CHRM2
SCHEMBL2091116 0.83 PIM1 (0.46) PIM1PIM2CHEK1EPORCHRM2
SCHEMBL2093429 0.81 PIM1 (0.42) PIM1PIM2CHEK1CETPEPOR
SCHEMBL2093427 0.81 PIM1 (0.42) PIM1PIM2CHEK1CETPEPOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT PIM1 1736/4885PIM2 1756/4885ALDH1A1 284/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT PIM1 1736/4885PIM2 1756/4885ALDH1A1 284/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT PIM1 1736/4885PIM2 1756/4885ALDH1A1 284/4885

“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.