SCHEMBL22011095

SCHEMBL22011095

CCCCOc1cc2oc3cc(CCC)c(F)c(F)c3c2c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 2/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HMGCR P04035 1/20 0.33
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CDC25C P30307 1/20 0.33
TSHR P16473 3/20 0.33

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
SCHEMBL22010799 0.96 PGAM1 (0.39) PGAM1HMGCRALDH1A1KDM4EHSD17B10
SCHEMBL22010784 0.93 ABCB1 (0.34) PGAM1CA12CA1CA2CA6
SCHEMBL22011226 0.90 HMGCR (0.36) CA9HMGCRALDH1A1KDM4EHSD17B10
SCHEMBL22010964 0.87 KDM4E (0.37) PGAM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22011788 0.87 PGAM1 (0.42) PGAM1CA12CA1CA2CA3
SCHEMBL22010811 0.86 KDM4E (0.36) PGAM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL20828855 0.84 ALDH1A1 (0.40) HMGCRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22011795 0.83 ALDH1A1 (0.38) PGAM1HMGCRALDH1A1KDM4EHSD17B10
SCHEMBL22010968 0.82 PGAM1 (0.42) PGAM1LTB4RL3MBTL1
SCHEMBL22011800 0.82 HTT (0.37) ALDH1A1KDM4EHSD17B10HPGDTSHR

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 4829/4885CA12 888/4885CA1 533/4885

“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.