SCHEMBL4086754

SCHEMBL4086754

CCOC(=O)C=Cc1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
FBP1 P09467 1/20 0.48
KMT2A Q03164 2/20 0.46
NFE2L2 Q16236 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.44
TFEB P19484 1/20 0.44
APP P05067 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL4086751 1.00 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2FBP1
SCHEMBL19244445 0.87 FBP1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2FBP1
SCHEMBL19244443 0.87 FBP1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2FBP1
SCHEMBL1508468 0.84 NFE2L2 (0.53) KDM4EALDH1A1HPGDKMT2ANFE2L2
SCHEMBL1508460 0.84 NFE2L2 (0.53) KDM4EALDH1A1HPGDKMT2ANFE2L2
SCHEMBL13957562 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4775241 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3536947 0.82 SMN1; SMN2 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL31506312 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL15188 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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 9 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
EP-1732887-A1 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 (US) 2006-12-20 EP disclosed
WO-2005097744-A1 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 (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
EP-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 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 (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 KDM4E 1254/4885ALDH1A1 284/4885HPGD 289/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT KDM4E 1254/4885ALDH1A1 284/4885HPGD 289/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT KDM4E 1254/4885ALDH1A1 284/4885HPGD 289/4885

“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.