SCHEMBL4866047

SCHEMBL4866047

C=CCCOc1ccc(-c2ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
ALDH2 P05091 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MAPT P10636 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
SCHEMBL4871081 1.00 HDAC1 (0.33) HDAC1HDAC2ALDH1A1L3MBTL1HDAC3
SCHEMBL4862292 0.85 RARB (0.38) ALDH1A1L3MBTL1
SCHEMBL4862352 0.85 RARB (0.38) ALDH1A1L3MBTL1
SCHEMBL4870576 0.84 RARB (0.39) HDAC1HDAC2ALDH1A1L3MBTL1HDAC3
SCHEMBL4871834 0.84 RARB (0.39) HDAC1HDAC2ALDH1A1L3MBTL1HDAC3
SCHEMBL4872005 0.82 PAX8 (0.31)
SCHEMBL4871779 0.82 PAX8 (0.31)
SCHEMBL4868253 0.81 APP (0.33)
SCHEMBL4866798 0.80 CNR2 (0.42) ALDH1A1L3MBTL1
SCHEMBL4862301 0.80 CNR2 (0.42) ALDH1A1L3MBTL1

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-7351452-B2 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2008-04-01 US disclosed
US-20050001200-A1 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2005-01-06 US disclosed
WO-2003040074-A1 LIQUID CRYSTALLINE COMPOUNDS CONTAINING A BIPHENYL CORE QINETIQ LIMITED (GB) 2003-05-15 WO 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-20050001200-A1 Liquid crystalline compounds containing a biphenyl core YBX1, AFF1, AFF2 HDAC1 2848/4885HDAC2 3162/4885ALDH1A1 2051/4885

“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.