SCHEMBL3177084

SCHEMBL3177084

CC(=O)OC([C]=O)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH1 P35367 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL28385768 0.97 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9265602 0.80 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5143751 0.77 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3123745 0.74
SCHEMBL28801076 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1948808 0.74
SCHEMBL8351730 0.72 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10414189 0.70 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL22802100 0.70
SCHEMBL3495565 0.69

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-7781445-B2 Synthesis of indenoisoquinoliniums and methods of use PURDUE RESEARCH FOUNDATION (US) 2010-08-24 US disclosed
US-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use PURDUE RESEARCH FOUNDATION 2008-10-02 US disclosed
EP-1735281-A2 SYNTHESIS OF INDENOISOQUINOLINIUMS AND METHODS OF USE Purdue Research Foundation (US) 2006-12-27 EP disclosed
WO-2005089294-A2 SYNTHESIS OF INDENOISOQUINOLINIUMS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2005-09-29 WO disclosed
US-5055459-A Purging leukemic tumor cells from mammals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 1991-10-08 US disclosed
US-4820694-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1989-04-11 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-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use INMT, QTRT1, QTRT2 TSHR 3826/4885CHRM2 1945/4885CHRM4 2013/4885

“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.