SCHEMBL4307124

SCHEMBL4307124

COc1cc(-c2ccc(I)c(OC)c2)ccc1I

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 4/20 0.44
PDE4A P27815 1/20 0.43
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HTT P42858 1/20 0.39
GRM4 Q14833 1/20 0.38
SNCA P37840 1/20 0.38
ERN1 O75460 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL14305809 0.89 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL458388 0.89 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL197234 0.80 APP (0.38) CYP3A4TSHRLMNAMAPTGRM4
SCHEMBL9937350 0.78 ACHE (0.62) ALDH1A1CYP3A4TDP1HPGDKDM4E
SCHEMBL388185 0.78 CA12 (0.62) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL29445512 0.78 CA12 (0.62) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL2836741 0.76 TSHR (0.42) ALDH1A1CYP3A4TDP1TSHRLMNA
SCHEMBL4343172 0.76 TRPV4 (0.50) ALDH1A1HPGDLMNAKDM4EGRM4
SCHEMBL1361002 0.76 KDM4E (0.42) CYP3A4TSHRKDM4EMAPTPDGFRB
SCHEMBL31260890 0.76 KDM4E (0.42) CYP3A4TSHRKDM4EMAPTPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 US disclosed
US-20140064053-A1 NON-RESONANT TWO-PHOTON ABSORPTION MATERIAL, NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, RECORDING MEDIUM, RECORDING/REPRODUCING METHOD AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
US-20120319059-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2012-12-20 US disclosed
US-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 US disclosed
EP-1857482-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP 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-20120319059-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND CRY2, KCNJ2, NONO ALDH1A1 1118/4885CYP3A4 3211/4885TDP1 2691/4885

“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.