SCHEMBL5564616

SCHEMBL5564616

CC(C)(C)c1ccc2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
CSNK2A1 P68400 4/20 0.58
KDM4E B2RXH2 3/20 0.58
CSNK2A2 P19784 3/20 0.58
CSNK2B P67870 3/20 0.58
CSNK2A3 Q8NEV1 3/20 0.58
USP2 O75604 1/20 0.58
PTGS1 P23219 1/20 0.58
AKR1B1 P15121 1/20 0.51
PIM1 P11309 4/20 0.47
PON1 P27169 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
POLB P06746 2/20 0.45
THRB P10828 1/20 0.45
MAOB P27338 5/20 0.45
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28826823 0.88 AKR1B1 (0.63) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5562502 0.85 PIM1 (0.66) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL379054 0.80 ALDH1A1 (0.67) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5600481 0.80 PIM1 (0.71) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL2976354 0.78 AKR1B1 (0.76) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL18144902 0.78 ALDH1A1 (0.69) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL4256569 0.78 ALDH1A1 (0.69) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL13855906 0.77 ALDH1A1 (0.63) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5559693 0.77 POLB (0.70) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL5557517 0.77 ALDH1A1 (0.63) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B

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
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-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
EP-1606281-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-21 EP disclosed
EP-1603911-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP 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-2004083208-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 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 (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 ALDH1A1 2448/4885CSNK2A1 1503/4885KDM4E 158/4885
US-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ALDH1A1 2415/4885CSNK2A1 1501/4885KDM4E 165/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ALDH1A1 2866/4885CSNK2A1 1117/4885KDM4E 163/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ALDH1A1 2415/4885CSNK2A1 1501/4885KDM4E 165/4885

“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.