SCHEMBL5564432

SCHEMBL5564432

O=C(O)c1cc(=O)c2cc(OC(F)(F)F)ccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.68
ALDH1A1 P00352 4/20 0.57
CSNK2A1 P68400 5/20 0.54
KDM4E B2RXH2 4/20 0.54
CSNK2A2 P19784 4/20 0.54
CSNK2B P67870 4/20 0.54
CSNK2A3 Q8NEV1 4/20 0.54
USP2 O75604 1/20 0.54
PTGS1 P23219 1/20 0.54
MCHR1 Q99705 1/20 0.48
AKR1B1 P15121 1/20 0.48
HPGD P15428 2/20 0.45
MAOA P21397 1/20 0.44
PTGER4 P35408 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PIM2 Q9P1W9 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
SCHEMBL5563750 0.89 ALDH1A1 (0.55) PIM1ALDH1A1CSNK2A1KDM4ECSNK2A2
SCHEMBL5319417 0.81 KDM4E (0.78) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5221248 0.81 PIM1 (1.00) PIM1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5562502 0.78 PIM1 (0.66) PIM1ALDH1A1CSNK2A1KDM4ECSNK2A2
SCHEMBL11252347 0.78 SIGMAR1 (0.59) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5563599 0.78 KDM4E (0.61) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL21175006 0.76 ACHE (0.55) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL2318176 0.76 ALDH1A1 (0.67) PIM1ALDH1A1CSNK2A1KDM4ECSNK2A2
SCHEMBL11058733 0.76 GPR35 (0.58) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5564212 0.75 ALDH1A1 (0.57) PIM1ALDH1A1CSNK2A1KDM4ECSNK2A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 US disclosed
US-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-12-07 US disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
WO-2004083199-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
WO-2004083208-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
WO-2004083198-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
US-5808105-A 4-phenoxycoumarins as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
US-5759959-A SELECTIVE CONTROL OF MONOCOTYLEDENOUS WEEDS IN THE PRESENCE OF A CROP PLANT AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
US-5681968-A EFFECTIVE TO CONTROL GRASS AND OTHER MONOCOTOLYDENOUS WEEDS AMERICAN CYANAMID COMPANY (US) 1997-10-28 US disclosed
US-5563280-A CONTROLLING MONOCOTYLEDENOUS WEEDS IN CROPS AMERICAN CYANAMID CO. (US) 1996-10-08 US disclosed
CN-1119188-A 4-phenoxycoumarins as herbicidal agents AMERICAN CYANAMID CO (US) 1996-03-27 CN disclosed
EP-0694257-A1 4-Phenoxycoumarins and thio derivatives thereof, their preparation and use as herbicides AMERICAN CYANAMID COMPANY (US) 1996-01-31 EP 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 (4 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-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R PIM1 2033/4885ALDH1A1 2448/4885CSNK2A1 1503/4885
US-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R PIM1 2057/4885ALDH1A1 2415/4885CSNK2A1 1501/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R PIM1 1981/4885ALDH1A1 2866/4885CSNK2A1 1117/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R PIM1 2057/4885ALDH1A1 2415/4885CSNK2A1 1501/4885

“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.