SCHEMBL22010968

SCHEMBL22010968

CCCCCOc1cc2oc3cc(OCC)c(F)c(F)c3c2c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LTB4R Q15722 1/20 0.34

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
SCHEMBL22011788 0.95 PGAM1 (0.42) PGAM1L3MBTL1
SCHEMBL22011181 0.94 PGAM1 (0.42) PGAM1L3MBTL1LTB4R
SCHEMBL22010970 0.88 PGAM1 (0.42) PGAM1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL22010799 0.87 PGAM1 (0.39) PGAM1LTB4R
SCHEMBL22010796 0.86 L3MBTL1 (0.35) PGAM1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL22010811 0.85 KDM4E (0.36) PGAM1
SCHEMBL22010964 0.84 KDM4E (0.37) PGAM1L3MBTL1
SCHEMBL22011095 0.82 PGAM1 (0.38) PGAM1L3MBTL1LTB4R
SCHEMBL29118536 0.82 PGAM1 (0.42) PGAM1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL22011806 0.82 HTR1D (0.36) PGAM1

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-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 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-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device YBX1, ZKSCAN2, RCC1 PGAM1 4829/4885L3MBTL1 427/4885S1PR2 1966/4885

“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.