SCHEMBL10301899

SCHEMBL10301899

CCOc1ccc(C2CCC(/C=C/c3ccc(CO)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.38
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
TNFRSF1A P19438 1/20 0.31
KDM1A O60341 2/20 0.31
CD274 Q9NZQ7 1/20 0.30
TOP2A P11388 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
SCHEMBL10301893 0.92 TUBB1 (0.39) TUBB1PKMKMT2AKDM4EGAA
SCHEMBL10301898 0.91 TUBB1 (0.39) TUBB1KMT2AGAAMEN1CD274
SCHEMBL10301894 0.90 TUBB1 (0.38) TUBB1PKMKMT2AMEN1KDM1A
SCHEMBL10301895 0.87 TUBB1 (0.36) TUBB1KMT2AMEN1TOP2A
SCHEMBL10302965 0.86 TUBB1 (0.53) TUBB1KMT2ATNFRSF1AKDM1A
SCHEMBL10301900 0.86 TUBB1 (0.40) TUBB1KMT2AMEN1TNFRSF1AKDM1A
SCHEMBL12739049 0.86 TUBB1 (0.40) TUBB1PKMKMT2AKDM4EGAA
SCHEMBL10302984 0.85 TUBB1 (0.37) TUBB1PKMKMT2AKDM4EGAA
SCHEMBL12739050 0.84 TUBB1 (0.42) TUBB1KMT2AKDM4EMEN1TNFRSF1A
SCHEMBL12739045 0.84 TUBB1 (0.42) TUBB1KMT2AMEN1TNFRSF1AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 TUBB1 548/4885PKM 3690/4885KMT2A 1102/4885

“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.