SCHEMBL4522301

SCHEMBL4522301

CCCCCCc1ccc(CCCCCC)c2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(CCCCCC)ccc(CCCCCC)c41)-c1c(C)ccc(CCCCCCCCCCCS)c1-3)c1c(CCCCCC)ccc(CCCCCC)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.33
TLR8 Q9NR97 7/20 0.32
TYR P14679 2/20 0.32
DHFR P00374 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7530621 0.88 KCNH2 (0.38) TLR8TYRMEN1TP53CYP3A4
SCHEMBL7056015 0.88 KCNH2 (0.38) TLR8TYRMEN1TP53CYP3A4
SCHEMBL7580690 0.88 KCNH2 (0.38) TLR8TYRMEN1TP53CYP3A4
SCHEMBL7717379 0.86 KCNH2 (0.37) TLR8TYRMEN1TP53CYP3A4
SCHEMBL7572175 0.86 KCNH2 (0.35) TLR8TYRMEN1TP53CYP3A4
SCHEMBL8923586 0.79 S1PR1 (0.44) MEN1ALOX15TSHRKMT2ATDP1
SCHEMBL7533536 0.74 LIPG (0.34) TLR8CYP3A4MAPTTSHR
SCHEMBL8958465 0.72 HSD17B10 (0.39) TLR8MEN1CYP3A4MAPTTSHR
SCHEMBL10595842 0.72 CYSLTR2 (0.44) TLR8MEN1KMT2A
SCHEMBL7595832 0.72 MAPK14 (0.40) CYP3A4MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563818-B2 Photosensitizer functionalised nanoparticles CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-07-21 US disclosed
EP-1455828-B1 PHOTOSENSITIZER FUNCTIONALISED NANOPARTICLES CANCER REC TECH LTD (GB) 2006-08-02 EP disclosed
US-20050058713-A1 Photosensitizer functionalised nanoparticles CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-03-17 US disclosed
EP-1455828-A2 PHOTOSENSITIZER FUNCTIONALISED NANOPARTICLES University of East Anglia (GB) 2004-09-15 EP disclosed
WO-2003037297-A2 PHOTOSENSITIZER FUNCTIONALISED NANOPARTICLES UNIVERSITY OF EAST ANGLIA (GB) 2003-05-08 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 (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-20050058713-A1 Photosensitizer functionalised nanoparticles PPOX, SAMSN1, ICMT SPHK2 3109/4885TLR8 4086/4885TYR 199/4885

“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.