SCHEMBL4870514

SCHEMBL4870514

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCOc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
NOS1 P29475 2/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36
MAOB P27338 2/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4870458 0.95 KDM4E (0.40) ATML3MBTL1KDM4EALDH1A1DRD4
SCHEMBL9141866 0.81 NR5A1 (0.50) DRD4DRD2DRD3LTA4H
SCHEMBL1751270 0.79 APP (0.34) MAOB
SCHEMBL2020660 0.79 ALDH1A1 (0.47) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL6747862 0.78 NSD2 (0.38) L3MBTL1KDM4EALDH1A1TDP1MAPT
SCHEMBL1015508 0.77 MAOB (0.32) MAOB
SCHEMBL5489747 0.77 MAOB (0.35) MAPTMAOB
SCHEMBL6749773 0.77 ACACB (0.33)
SCHEMBL5959986 0.77 KCNA3 (0.50) ALDH1A1DRD4DRD2DRD3RECQL
SCHEMBL17445905 0.76 ATM (0.60) ATML3MBTL1KDM4EALDH1A1DRD4

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 4 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
US-6703082-B1 VARIOUS NAPHTHALENE-CONTAINING LIQUID CRYSTALS DISPLAYTECH, INC. 2004-03-09 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 ATM 3344/4885L3MBTL1 409/4885KDM4E 338/4885

“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.