SCHEMBL11221480

SCHEMBL11221480

C=C(C)C(=O)OCCCCCCOC(=O)CC(=O)OCCCCCCOC(=O)C(=C)C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
THRB P10828 1/20 0.52
FAAH O00519 2/20 0.46
NAAA Q02083 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX1 P07099 1/20 0.38
ACHE P22303 5/20 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
SCHEMBL12402241 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28050716 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27562418 0.94 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12255537 0.94 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7760391 0.94 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL272304 0.92 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554427 0.91 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554406 0.91 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554404 0.91 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554423 0.91 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1

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-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US claimed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US claimed
US-20090009061-A1 Composition for Conductive Materials Comprising Crosslinkable Arylamine Compounds and Use Thereof in Electronic Devices and Electronic Equipment SEIKO EPSON CORPORATION (JP) 2009-01-08 US disclosed
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4297099-A BY PENETRATION AND CROSSLINKING DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 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-20090009061-A1 Composition for Conductive Materials Comprising Crosslinkable Arylamine Compounds and Use Thereof in Electronic Devices and Electronic Equipment AHR, SLC43A1, SLC1A2 TSHR 3348/4885POLB 3569/4885APEX1 1219/4885

“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.