SCHEMBL3290486

SCHEMBL3290486

O=C(COCc1ccccc1)Oc1cccc2c1C(=O)c1c(OC(=O)COCc3ccccc3)cc(C(=O)O)cc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 9/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 3/20 0.63
HPGD P15428 3/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
HSP90AA1 P07900 2/20 0.63
HSP90AB1 P08238 2/20 0.63
CASP7 P55210 2/20 0.63
FTO Q9C0B1 2/20 0.63
ABCC4 O15439 1/20 0.63
USP2 O75604 1/20 0.63
TP53 P04637 1/20 0.63
CHRM2 P08172 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
ADORA3 P0DMS8 1/20 0.63

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
Rhein SCHEMBL5712169 0.93 TTR (0.58) TTRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5712176 0.85 TTR (0.48) TTRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL971641 0.82 KMT2A (0.60) TTRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3292601 0.80 TTR (0.72) TTRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9279787 0.78 TTR (0.77) TTRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL23655432 0.78 TTR (0.84) TTRALDH1A1MAPTLMNASMN1; SMN2
Diacerein SCHEMBL29423907 0.78 TTR (1.00) TTRALDH1A1MAPTLMNASMN1; SMN2
Diacerein SCHEMBL29944894 0.78 TTR (1.00) TTRALDH1A1MAPTLMNASMN1; SMN2
Diacerein SCHEMBL5051685 0.78 TTR (1.00) TTRALDH1A1MAPTLMNASMN1; SMN2
Diacerein SCHEMBL25784 0.78 TTR (1.00) TTRALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728035-B2 Ester derivatives of rhein and their therapeutic use SOSEI R&D LTD. (GB) 2010-06-01 US claimed
US-20070185036-A1 Ester derivatives of rhein and their therapeutic use SOSEI R&D LTD (GB) 2007-08-09 US claimed
EP-1723097-A1 ESTER DERIVATIVES OF RHEIN AND THEIR THERAPEUTIC USE Sosei R&D Ltd. (GB) 2006-11-22 EP claimed
WO-2005085170-A1 ESTER DERIVATIVES OF RHEIN AND THEIR THERAPEUTIC USE SOSEI R&D LTD. (GB) 2005-09-15 WO claimed
US-7728035-B2 Ester derivatives of rhein and their therapeutic use SOSEI R&D LTD. (GB) 2010-06-01 US disclosed
US-20070185036-A1 Ester derivatives of rhein and their therapeutic use SOSEI R&D LTD (GB) 2007-08-09 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-20070185036-A1 Ester derivatives of rhein and their therapeutic use RCOR1, RCOR3, OXER1 TTR 4254/4885ALDH1A1 3680/4885MAPT 4360/4885

“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.