SCHEMBL17357488

SCHEMBL17357488

CCCCC(CC)COc1ccc(OCC(CC)CCCC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 3/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTGES O14684 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.38
CALM1 P0DP23 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL19612264 0.88 TDP1 (0.44) TDP1ALDH1A1MAPK1SMN1; SMN2CYP3A4
SCHEMBL19612392 0.88 TDP1 (0.44) TDP1ALDH1A1MAPK1SMN1; SMN2CYP3A4
SCHEMBL28029056 0.86 ALDH1A1 (0.42) TDP1ALDH1A1MAPK1SMN1; SMN2CYP3A4
SCHEMBL10375177 0.85 CYP3A4 (0.43) TDP1ALDH1A1MAPK1SMN1; SMN2CYP3A4
SCHEMBL19612185 0.84 ALDH1A1 (0.43) TDP1ALDH1A1MAPK1CYP3A4CA2
SCHEMBL6297997 0.84 ALDH1A1 (0.41) TDP1ALDH1A1MAPK1CYP3A4CA2
SCHEMBL27635178 0.84 HTR2A (0.43) TDP1ALDH1A1MAPK1CYP3A4CA2
SCHEMBL19612310 0.84 LTA4H (0.44) TDP1ALDH1A1MAPK1CYP3A4CA2
SCHEMBL15602652 0.83 ALDH1A1 (0.42) TDP1ALDH1A1MAPK1CYP3A4CA2
SCHEMBL19612472 0.83 ALDH1A1 (0.56) TDP1ALDH1A1MAPK1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
US-20150370062-A1 CARRIER FLUID COMPOUNDS AND DYE COMPOUNDS FOR ELECTROWETTING APPARATUS AMAZON TECHNOLOGIES, INC. 2015-12-24 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-20150370062-A1 CARRIER FLUID COMPOUNDS AND DYE COMPOUNDS FOR ELECTROWETTING APPARATUS SLC26A3, SLC26A4, AQP1 TDP1 3530/4885ALDH1A1 867/4885MAPK1 2778/4885

“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.