SCHEMBL5504619

SCHEMBL5504619

Cc1c(C(=O)O)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
MAPT P10636 4/20 0.69
HPGD P15428 4/20 0.69
HSD17B10 Q99714 2/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69
ALDH1A1 P00352 4/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GABRA1 P14867 3/20 0.57
GABRG2 P18507 3/20 0.57
GABRB3 P28472 3/20 0.57
GABRA5 P31644 3/20 0.57
GABRA3 P34903 3/20 0.57
GABRA2 P47869 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL25904024 0.89 ALDH1A1 (0.68) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL7839754 0.86 KDM4E (0.57) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL2730788 0.86 KDM4E (0.56) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL27389076 0.86 KDM4E (0.56) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL29363633 0.85 KDM4E (0.65) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL3848767 0.84 KDM4E (0.81) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL12133099 0.84 TRPM8 (0.57) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL25904022 0.84 MAPT (0.60) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL3849358 0.83 KDM4E (0.80) KDM4EMAPTHPGDHSD17B10LMNA
SCHEMBL3389079 0.83 TRPM8 (0.61) KDM4EMAPTHPGDHSD17B10LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 EP disclosed
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 US 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 (1 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS KDM4E 818/4885MAPT 1856/4885HPGD 70/4885

“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.