SCHEMBL4443733

SCHEMBL4443733

CCCCCCc1ccc2ccccc2c1-c1cc2ccc3cc(-c4c(CCCCCC)ccc5ccccc45)cc4ccc(c1)c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 5/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 2/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR8 Q9NR97 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HTT P42858 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL28053356 0.87 DHFR (0.47) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL28226794 0.87 DHFR (0.47) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL28091048 0.87 DHFR (0.47) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL3674710 0.86 LIPG (0.47) MAPTKDM4EALDH1A1GAACYP3A4
Phosphine SCHEMBL28240083 0.85 DHFR (0.46) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL6058808 0.85 DHFR (0.44) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL16671703 0.85 TLR8 (0.45) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL30576683 0.80 ESR1 (0.42) GAATLR8TDP1ATM
SCHEMBL28184786 0.78 DHFR (0.42) MAPTKDM4EALDH1A1GAACYP3A4
Pyrene SCHEMBL28277958 0.77 LIPG (0.49) MAPTTLR8LIPGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP MAPT 270/4885KDM4E 4351/4885ALDH1A1 2077/4885

“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.