SCHEMBL2853546

SCHEMBL2853546

Fc1cccc(-c2ccc(Br)cc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39

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
SCHEMBL13263254 0.89 WDR5 (0.47) WDR5ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1772366 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1PTPRCSLC6A3
SCHEMBL8124727 0.80 WDR5 (0.43) WDR5ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL7604808 0.80 ALDH1A1 (0.37) ALDH1A1MAPK1PDE3BPDE3ASLC6A3
SCHEMBL200742 0.79 ALDH1A1 (0.42) WDR5ALDH1A1MAPK1HDAC3HDAC1
SCHEMBL19452779 0.78 PGR (0.44) WDR5HDAC3HDAC1HDAC2HDAC8
SCHEMBL25224763 0.78 WDR5 (0.42) WDR5ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1513514 0.78 ABL1 (0.47) WDR5ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL20486024 0.78 TAAR1 (0.45) WDR5ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL23047589 0.78 WDR5 (0.42) WDR5ALDH1A1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017116213-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME 주식회사 동진쎄미켐 2017-07-06 — — WO disclosed
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 — — EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 — — US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 — — 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 WDR5 717/4885ALDH1A1 3844/4885MAPK1 1644/4885

“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.

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