SCHEMBL4614545

SCHEMBL4614545

O=C(O)CCCCCCCCCCCCCCCCOc1c(I)cc(I)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ALB P02768 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL4614908 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4614875 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4613899 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4614565 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4612093 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4612445 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4611450 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4612767 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4613044 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA
SCHEMBL4613922 1.00 ALDH1A1 (0.44) ALDH1A1ALBTHRATHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492776-B1 IODINATED TRIGLYCERIDE ANALOGS FUJIFILM CORP (JP) 2008-10-29 EP disclosed
US-7371877-B2 Glycerol ester derivative FUJIFILM CORPORATION (JP) 2008-05-13 US disclosed
EP-1426353-B1 1,3-GLYCERIDE COMPOUND HAVING TWO IODOPHENYL GROUPS FUJIFILM CORP (JP) 2007-12-26 EP disclosed
US-7264790-B2 1,3-glyceride compound having two iodophenyl groups FUJIFILM CORPORATION (JP) 2007-09-04 US disclosed
US-20060062726-A1 with iodophenyl group (radioisotope), as a membrane component of liposomes, which enables lesion-selective contrast X-ray radiography of a vascular disease; metabolized in the liver, not accumulated in living bodies FUJIFILM CORPORATION (JP) 2006-03-23 US disclosed
US-20050002864-A1 1,3-glyceride compound having two iodophenyl groups FUJIFILM CORPORATION (JP) 2005-01-06 US disclosed
EP-1492776-A2 IODINATED TRIGLYCERIDE ANALOGS Fuji Photo Film Co. Ltd. (JP) 2005-01-05 EP disclosed
EP-1426353-A1 1,3-minus;GLYCERIDE COMPOUND HAVING TWO IODOPHENYL GROUPS Fuji Photo Film Co. Ltd. (JP) 2004-06-09 EP disclosed
WO-2003080554-A2 IODINATED TRIGLYCERIDE ANALOGS FUJI PHOTO FILM CO., LTD. (JP) 2003-10-02 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-20050002864-A1 1,3-glyceride compound having two iodophenyl groups SGMS1, PHOSPHO1, SGMS2 ALDH1A1 2054/4885ALB 1043/4885THRA 1178/4885
US-20060062726-A1 with iodophenyl group (radioisotope), as a membrane component of liposomes, which enables lesion-selective contrast X-ray radiography of a vascular disease; metabolized in the liver, not accumulated in living bodies MSR1, LIPA, LIPC ALDH1A1 1654/4885ALB 523/4885THRA 1094/4885

“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.