SCHEMBL5558100

SCHEMBL5558100

COc1cccc2c(=O)cc(C(=O)O)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 11/20 0.59
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.58
USP2 O75604 1/20 0.53
CSNK2A2 P19784 1/20 0.53
PTGS1 P23219 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
PRKDC P78527 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
RECQL P46063 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL8115765 0.87 ALDH1A1 (0.57) GPR35ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL8827815 0.87 ALDH1A1 (0.68) GPR35ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL11246858 0.83 GPR35 (0.54) GPR35KDM4EUSP2CSNK2A2PTGS1
SCHEMBL7553333 0.82 AKR1B1 (0.53) GPR35ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL11704441 0.82 GPR35 (0.48) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11370102 0.80 PDE10A (0.45) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL978037 0.80 LMNA (0.77) ALDH1A1KDM4EMAPTHSD17B10KMT2A
SCHEMBL7223526 0.80 GPR35 (0.63) GPR35KDM4EMAPTUSP2CSNK2A2
SCHEMBL6332276 0.80 ALDH1A1 (0.53) GPR35ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL18384672 0.80 PDE4A (0.55) GPR35ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R GPR35 59/4885ALDH1A1 2415/4885KDM4E 165/4885
US-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 GPR35 3114/4885ALDH1A1 3749/4885KDM4E 2159/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R GPR35 128/4885ALDH1A1 2866/4885KDM4E 163/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 GPR35 3114/4885ALDH1A1 3749/4885KDM4E 2159/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 GPR35 3007/4885ALDH1A1 3685/4885KDM4E 2344/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R GPR35 59/4885ALDH1A1 2415/4885KDM4E 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.