SCHEMBL5564628

SCHEMBL5564628

COc1cc2oc(C(=O)O)cc(=O)c2cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ AKR1B1 P15121 3/20 0.54
▸ CSNK2A2 P19784 7/20 0.49
▸ CSNK2B P67870 7/20 0.49
▸ CSNK2A1 P68400 7/20 0.49
▸ USP2 O75604 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ CSNK2A3 Q8NEV1 1/20 0.49
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ MCL1 Q07820 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA13 Q8N1Q1 2/20 0.47
▸ HPGD P15428 2/20 0.46

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
SCHEMBL5560761 0.89 KDM4E (0.64) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL6329342 0.84 KDM4E (0.58) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL6329297 0.84 KDM4E (0.58) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL5563883 0.82 AKR1B1 (0.65) KDM4EALDH1A1HSD17B10TP53AKR1B1
SCHEMBL19744010 0.81 KDM4E (0.58) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL18397754 0.77 AKR1B1 (0.63) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL4648917 0.76 KDM4E (1.00) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL14459505 0.76 KDM4E (0.65) KDM4EALDH1A1HSD17B10CYP2C19AKR1B1
SCHEMBL13517935 0.75 KDM4E (0.54) KDM4EALDH1A1HSD17B10CYP2C19TP53
SCHEMBL29129660 0.75 PPARG (0.65) KDM4EALDH1A1HSD17B10CYP2C19TP53

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 13 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-1606278-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-21 — — EP 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-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 — — 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-2004083198-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES 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-2004083209-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 KDM4E 158/4885ALDH1A1 2448/4885HSD17B10 2791/4885
US-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R KDM4E 165/4885ALDH1A1 2415/4885HSD17B10 2858/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R KDM4E 163/4885ALDH1A1 2866/4885HSD17B10 2101/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R KDM4E 165/4885ALDH1A1 2415/4885HSD17B10 2858/4885

“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.

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