SCHEMBL7595235

SCHEMBL7595235

CC(=O)OCc1c(I)c(COC(C)=O)c(I)c(COC(C)=O)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8415220 0.91 CA2 (0.42) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL14192901 0.91 CA2 (0.42) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL8418054 0.91 CA2 (0.42) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL7593762 0.89 CA2 (0.41) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL7595385 0.85 CA2 (0.41) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL9685052 0.77 ALDH1A1 (0.50) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL4168639 0.77 ALDH1A1 (0.50) CA2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL6227052 0.76 LMNA (0.37) CA2ALDH1A1LMNACHRM1TBXA2R
SCHEMBL7594746 0.75 CA2 (0.34) CA2ALDH1A1
SCHEMBL13034117 0.75 ALDH1A1 (0.48) CA2ALDH1A1HSD17B10LMNAKDM4E

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
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND ST. MARIANNA UNIVERSITY SCHOOL OF MEDICINE (JP) 2023-10-12 US disclosed
US-7355067-B2 Process for the production of triiodotrimesic acid SCHERING AG (DE) 2008-04-08 US disclosed
US-7355067-B2 Process for the production of triiodotrimesic acid SCHERING AG (DE) 2008-04-08 US disclosed
US-20070093674-A1 Process for the production of triiodotrimesic acid BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-04-26 US disclosed
US-20070093674-A1 Process for the production of triiodotrimesic acid BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-04-26 US disclosed
US-7166740-B2 Process for the production of triiodotrimesic acid SCHERING AG (DE) 2007-01-23 US disclosed
US-7166740-B2 Process for the production of triiodotrimesic acid SCHERING AG (DE) 2007-01-23 US disclosed
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 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 (2 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-20070093674-A1 Process for the production of triiodotrimesic acid TRHDE, TRHR, TSHR CA2 556/4885ALDH1A1 3838/4885HSD17B10 1826/4885
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND RXFP1, AVPR2, RXFP3 CA2 361/4885ALDH1A1 2641/4885HSD17B10 4298/4885

“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.