SCHEMBL14729248

SCHEMBL14729248

Cc1ccc(N(c2ccc(CCc3ccc(N(c4ccc(CC(CO)CO)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(CC(CO)CO)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
APP P05067 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC6A4 P31645 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30

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
SCHEMBL14729235 0.82 S1PR1 (0.35) S1PR1APP
SCHEMBL14371522 0.81 S1PR1 (0.44) S1PR1MEN1ALDH1A1LMNAMAPK1
SCHEMBL19018168 0.81 S1PR1 (0.44) S1PR1MEN1ALDH1A1LMNAMAPK1
SCHEMBL21183309 0.80 APP (0.38) APPACSS2PTGS1SLC6A4MEN1
SCHEMBL14732709 0.80 S1PR1 (0.41) S1PR1PTGS1PTGS2MEN1ALDH1A1
SCHEMBL19038363 0.79 APP (0.37) APPSLC6A4ALDH1A1
SCHEMBL14732526 0.79 CYP1A2 (0.41) S1PR1ALDH1A1
SCHEMBL14732547 0.79 CYP1A2 (0.41) S1PR1ALDH1A1
SCHEMBL394254 0.78 S1PR1 (0.42) S1PR1MEN1ALDH1A1KMT2A
SCHEMBL13840022 0.78 S1PR1 (0.42) S1PR1MEN1ALDH1A1KMT2A

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-8846280-B2 Compound, charge transporting film, photoelectric conversion device, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-09-30 US disclosed
US-8846280-B2 Compound, charge transporting film, photoelectric conversion device, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-09-30 US disclosed
US-20130052571-A1 NOVEL COMPOUND, CHARGE TRANSPORTING FILM, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2013-02-28 US disclosed
US-20130052571-A1 NOVEL COMPOUND, CHARGE TRANSPORTING FILM, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2013-02-28 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-20130052571-A1 NOVEL COMPOUND, CHARGE TRANSPORTING FILM, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS SCNN1G, SCNN1B, ARL1 S1PR1 3970/4885APP 1554/4885ACSS2 1384/4885

“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.