SCHEMBL22011788

SCHEMBL22011788

CCCCOc1cc2oc3cc(OCC)c(F)c(F)c3c2c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
CYP2C9 P11712 2/20 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
SCHEMBL22010968 0.95 PGAM1 (0.42) PGAM1L3MBTL1
SCHEMBL22011181 0.89 PGAM1 (0.42) PGAM1L3MBTL1CA9MAOAMAOB
SCHEMBL22011095 0.87 PGAM1 (0.38) PGAM1L3MBTL1CA9CA12CA1
SCHEMBL22010964 0.85 KDM4E (0.37) PGAM1L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL22010811 0.84 KDM4E (0.36) PGAM1TDP1ALDH1A1KDM4ELMNA
SCHEMBL22010970 0.83 PGAM1 (0.42) PGAM1L3MBTL1CDC25ACDC25BCDC25C
SCHEMBL22011195 0.83 SCN9A (0.39) PGAM1CA9CA12CA1CA4
SCHEMBL22010799 0.83 PGAM1 (0.39) PGAM1ALDH1A1KDM4E
SCHEMBL22011226 0.81 HMGCR (0.36) CA9ALDH1A1RXFP1KDM4EMAPT
SCHEMBL22010784 0.79 ABCB1 (0.34) PGAM1CA9CA12CA1CA6

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 427/4885CYP1A2 449/4885

“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.