SCHEMBL21643073

SCHEMBL21643073

CCCCc1ccc(OP(=O)(Oc2ccc(CCCC)cc2CCCC)OP(=O)(O)O)c(CCCC)c1.OCC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.41
S1PR3 Q99500 12/20 0.41
S1PR4 O95977 6/20 0.40
S1PR2 O95136 4/20 0.40
S1PR5 Q9H228 4/20 0.38
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6480565 0.82 INPPL1 (0.44) S1PR1S1PR3S1PR4S1PR2HTT
SCHEMBL1791071 0.82 HTT (0.45) HTTMAPTMAPK1APAF1THRB
SCHEMBL30692697 0.82 HTT (0.45) HTTMAPTMAPK1APAF1THRB
SCHEMBL27778654 0.81 INPPL1 (0.43) S1PR1S1PR3S1PR4S1PR2HTT
Pyrophosphoric Acid SCHEMBL27596247 0.81 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL4946875 0.80 THRA (0.45) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL6834313 0.77 S1PR1 (0.34) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL6478069 0.77 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL7767259 0.76 INPPL1 (0.43) S1PR1S1PR3S1PR4S1PR2HTT
SCHEMBL7767258 0.76 AKT1 (0.39) HTTMAPTMAPK1APAF1THRB

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-11236061-B2 Xanthene-based compound and photosensitive resin composition comprising same LG CHEM, LTD. (KR) 2022-02-01 US disclosed
US-11091644-B2 Method for producing colorant composition, and colorant composition, colorant dispersion, photosensitive resin composition, color filter, liquid crystal display device produced using same LG CHEM, LTD. (KR) 2021-08-17 US disclosed
US-20200262807-A1 XANTHENE-BASED COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME LG CHEM, LTD. (KR) 2020-08-20 US disclosed
US-20200040188-A1 METHOD FOR PRODUCING COLORANT COMPOSITION, AND COLORANT COMPOSITION, COLORANT DISPERSION, PHOTOSENSITIVE RESIN COMPOSITION, COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE PRODUCED USING SAME LG CHEM, LTD. (KR) 2020-02-06 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 (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-11236061-B2 Xanthene-based compound and photosensitive resin composition comprising same RER1, TAS1R1, SUN2 S1PR1 4111/4885S1PR3 4672/4885S1PR4 4538/4885
US-20200262807-A1 XANTHENE-BASED COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME RER1, TAS1R1, SUN2 S1PR1 4111/4885S1PR3 4672/4885S1PR4 4538/4885

“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.