SCHEMBL17243236

SCHEMBL17243236

CCCCCCOc1ccc(C=O)c(OCCCCCC)c1OCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.47
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL7868898 1.00 TLR4 (0.47) TLR4GAATDP1L3MBTL1ALDH1A1
SCHEMBL19710403 0.93 GAA (0.48) TLR4GAATDP1L3MBTL1ALDH1A1
SCHEMBL5954267 0.89 TLR4 (0.45) TLR4ALDH1A1LMNAMAPTMEN1
SCHEMBL1242931 0.86 NPC1 (0.52) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL11439257 0.86 NPC1 (0.52) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL28004812 0.86 NPC1 (0.52) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL5954273 0.85 TLR4 (0.39) TLR4ALDH1A1LMNAMAPTMEN1
SCHEMBL27693071 0.84 TLR4 (0.50) TLR4GAATDP1L3MBTL1ALDH1A1
SCHEMBL31612271 0.81 ALDH1A1 (0.44) TLR4TDP1ALDH1A1LMNAMAPT
SCHEMBL31612273 0.81 ALDH1A1 (0.44) TLR4TDP1ALDH1A1LMNAMAPT

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-10056554-B2 Functional interlayers of fullerene derivatives and applications in organic solar cells UNIVERSITY OF MASSACHUSETTS (US) 2018-08-21 US disclosed
US-20170047520-A1 FUNCTIONAL INTERLAYERS OF FULLERENE DERIVATIVES AND APPLICATIONS IN ORGANIC SOLAR CELLS UNIVERSITY OF MASSACHUSETTS (US) 2017-02-16 US disclosed
US-20170047520-A1 FUNCTIONAL INTERLAYERS OF FULLERENE DERIVATIVES AND APPLICATIONS IN ORGANIC SOLAR CELLS UNIVERSITY OF MASSACHUSETTS (US) 2017-02-16 US disclosed
US-20170047520-A1 FUNCTIONAL INTERLAYERS OF FULLERENE DERIVATIVES AND APPLICATIONS IN ORGANIC SOLAR CELLS UNIVERSITY OF MASSACHUSETTS (US) 2017-02-16 US disclosed
WO-2015171689-A1 FUNCTIONAL INTERLAYERS OF FULLERENE DERIVATIVES AND APPLICATIONS IN ORGANIC SOLAR CELLS UNIVERSITY OF MASSACHUSETTS (US) 2015-11-12 WO disclosed
WO-2015171689-A1 FUNCTIONAL INTERLAYERS OF FULLERENE DERIVATIVES AND APPLICATIONS IN ORGANIC SOLAR CELLS UNIVERSITY OF MASSACHUSETTS (US) 2015-11-12 WO 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 (2 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-20170047520-A1 FUNCTIONAL INTERLAYERS OF FULLERENE DERIVATIVES AND APPLICATIONS IN ORGANIC SOLAR CELLS PPOX, OCIAD2, PIN4 TLR4 3258/4885GAA 4771/4885TDP1 3600/4885
US-10056554-B2 Functional interlayers of fullerene derivatives and applications in organic solar cells PPOX, OCIAD2, PIN4 TLR4 3258/4885GAA 4771/4885TDP1 3600/4885

“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.