SCHEMBL7728084

SCHEMBL7728084

CCCCC[C@H]1CC[C@H](CCCCC2CC=C(c3cccc(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
HSD11B1 P28845 1/20 0.32
CDK2 P24941 1/20 0.31
MAPK1 P28482 1/20 0.31
FLT4 P35916 1/20 0.31
MAPK8 P45983 1/20 0.31
CLK2 P49760 1/20 0.31
LIMK1 P53667 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31

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
SCHEMBL7728087 1.00 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL730117 0.97 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497782 0.96 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9493202 0.96 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9419289 0.96 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9493359 0.96 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9493947 0.96 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9494782 0.96 GRM2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497022 0.94 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10535979 0.90 CCNT1 (0.30) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458433-B1 ISOTOPE REPLACEMENT; OPTICAL DISPLAY CHISSO CORPORATION (JP) 2002-10-01 US disclosed
US-20020038858-A1 Isotope replacement; optical display JNC CORPORATION (JP) 2002-04-04 US disclosed
EP-0949232-A1 DIFLUOROPHENYL DERIVATIVES, LIQUID-CRYSTAL COMPOUNDS, AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1999-10-13 EP 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-20020038858-A1 Isotope replacement; optical display IRS1, FES, IK HDAC3 3742/4885HDAC1 1824/4885HDAC2 3380/4885

“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.