SCHEMBL11911540

SCHEMBL11911540

C=CCOC(=O)CCc1ccc(N(c2ccc(CCC(=O)OCC=C)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
FFAR1 O14842 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 4/20 0.45
MMP12 P39900 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL250955 0.83 TDP1 (0.68) CASP1FFAR1TDP1PKMSMN1; SMN2
SCHEMBL14732624 0.83 SMN1; SMN2 (0.45) CASP1FFAR1TDP1SMN1; SMN2MGLL
SCHEMBL14306494 0.82 FFAR1 (0.52) FFAR1TDP1MGLLMMP12TRPV1
SCHEMBL14732636 0.82 SMN1; SMN2 (0.44) CASP1FFAR1TDP1SMN1; SMN2MGLL
SCHEMBL13410149 0.82 TDP1 (0.58) FFAR1TDP1MGLLMMP12CYP4F2
SCHEMBL10093000 0.81 FFAR1 (0.44) CASP1FFAR1TDP1MGLLMMP12
SCHEMBL7756846 0.81 CYP4F2 (0.59) FFAR1TDP1SMN1; SMN2MGLLMMP12
SCHEMBL2602542 0.81 TDP1 (0.43) FFAR1TDP1SMN1; SMN2MGLLMMP12
SCHEMBL2602526 0.81 TDP1 (0.43) FFAR1TDP1SMN1; SMN2MGLLMMP12
SCHEMBL13943204 0.80 FFAR1 (0.54) FFAR1TDP1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748070-B2 Thiol group-containing charge transporting material, thiol group-containing charge transporting material-dissolving solution, photoelectric conversion device, electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2014-06-10 US disclosed
US-8748070-B2 Thiol group-containing charge transporting material, thiol group-containing charge transporting material-dissolving solution, photoelectric conversion device, electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2014-06-10 US disclosed
US-20120196215-A1 THIOL GROUP-CONTAINING CHARGE TRANSPORTING MATERIAL, THIOL GROUP-CONTAINING CHARGE TRANSPORTING MATERIAL-DISSOLVING SOLUTION, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE FUJI XEROX CO., LTD. (JP) 2012-08-02 US disclosed
US-20120196215-A1 THIOL GROUP-CONTAINING CHARGE TRANSPORTING MATERIAL, THIOL GROUP-CONTAINING CHARGE TRANSPORTING MATERIAL-DISSOLVING SOLUTION, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE FUJI XEROX CO., LTD. (JP) 2012-08-02 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-20120196215-A1 THIOL GROUP-CONTAINING CHARGE TRANSPORTING MATERIAL, THIOL GROUP-CONTAINING CHARGE TRANSPORTING MATERIAL-DISSOLVING SOLUTION, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE SLC9A1, SLC26A3, SLC26A4 CASP1 1567/4885FFAR1 3229/4885TDP1 2806/4885

“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.