SCHEMBL1845592

SCHEMBL1845592

CCCCCCC(C)OC(=O)c1cc(I)cc(I)c1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
FAAH O00519 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
NAAA Q02083 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL21705280 0.79 HDAC3 (0.38) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7792783 0.77 ALDH1A1 (0.34) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28348235 0.77 ALDH1A1 (0.71) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL31140049 0.76 ALDH1A1 (0.89) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL1930571 0.76 ALDH1A1 (0.89) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL9069200 0.76 ALDH1A1 (0.89) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL1702480 0.76 ALDH1A1 (0.89) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL29723317 0.76 ALDH1A1 (0.89) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL21333932 0.76 ALDH1A1 (0.89) ALDH1A1FAAHCNR1CNR2KDM4E
SCHEMBL6725121 0.75 ESR1 (0.58) ALDH1A1FAAHCNR1CNR2MAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484585-A CONTAIN NONIONIC, CATIONIC, ANIONIC, ZWITTERIONIC SURFACTANTS, EXCIPIENTS, AND WATER; X-RAY CONTRAST AND COMPUTED TOMOGRAPHY; MEDICAL DIAGNOSIS STERLING-WINTHROP INC. (US) 1996-01-16 US claimed
US-5385720-A X-ray radiology and computer tomography; uniform coating of the soft tissues; medical diagnosis STERLING WINTHROP INC. (US) 1995-01-31 US claimed
EP-0614669-A2 Compositions of iodobenzoic acid derivatives in filmforming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-09-14 EP claimed
EP-0614668-A2 Composition of iodobenzoic acid derivatives for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-09-14 EP claimed
US-5344638-A Contrast agents for medicine STERLING WINTHROP INC. (US) 1994-09-06 US claimed
US-5312616-A Radiopaque coating for x-ray examination STERLING WINTHROP INC. (US) 1994-05-17 US claimed
JP-6321867-A None JP disclosed
US-9718929-B2 Chelating amphiphilic polymers KONINKLIJKE PHILIPS N.V. (NL) 2017-08-01 US disclosed
US-20150247008-A1 CHELATING AMPHIPHILIC POLYMERS KONINKL PHILIPS NV (NL) 2015-09-03 US disclosed
EP-2323636-B1 CHELATING AMPHIPHILIC POLYMERS KONINKL PHILIPS NV (NL) 2015-08-12 EP disclosed
US-9034298-B2 Chelating amphiphilic polymers KONINKLIJKE PHILIPS N.V. (NL) 2015-05-19 US disclosed
US-8846035-B2 Methods for preparing polymer microparticles KONINKLIJKE PHILIPS N.V. (NL) 2014-09-30 US disclosed
US-8313676-B2 Methods for preparing polymer microparticles KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-20 US disclosed
US-5484585-A CONTAIN NONIONIC, CATIONIC, ANIONIC, ZWITTERIONIC SURFACTANTS, EXCIPIENTS, AND WATER; X-RAY CONTRAST AND COMPUTED TOMOGRAPHY; MEDICAL DIAGNOSIS STERLING-WINTHROP INC. (US) 1996-01-16 US disclosed
WO-1995028969-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING PHARMACEUTICALLY ACCEPTABLE CLAYS NYCOMED IMAGING AS (NO) 1995-11-02 WO disclosed
JP-H06321867-A X-RAY CONTRAST AGENT AND X-RAY CONTRAST AGENT COMPOSITION STERLING WINTHROP INC 1994-11-22 JP disclosed
EP-0614669-A2 Compositions of iodobenzoic acid derivatives in filmforming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-09-14 EP disclosed
EP-0614668-A2 Composition of iodobenzoic acid derivatives for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-09-14 EP disclosed
US-5344638-A Contrast agents for medicine STERLING WINTHROP INC. (US) 1994-09-06 US disclosed
US-5312616-A Radiopaque coating for x-ray examination STERLING WINTHROP INC. (US) 1994-05-17 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-20150247008-A1 CHELATING AMPHIPHILIC POLYMERS SLC30A5, SLC30A6, ABCB4 ALDH1A1 4768/4885FAAH 1047/4885CNR1 1205/4885

“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.