SCHEMBL4872013

SCHEMBL4872013

O=C(O)c1ccc(-c2ccc(OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.59
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 5/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
HTT P42858 3/20 0.49
PLA2G4A P47712 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL25788217 0.91 PKM (0.53) RARBTP53TSHRPLA2G4BHTT
SCHEMBL9187863 0.90 RARB (0.51) RARBTP53TSHRPLA2G4BHDAC1
SCHEMBL25557949 0.84 RARB (0.64) RARBTP53TSHRPLA2G4BHDAC1
SCHEMBL7528744 0.81 FFAR4 (0.45) RARBTP53TSHRPLA2G4BHTT
SCHEMBL3633788 0.81 PKM (0.57) RARBTP53TSHRPLA2G4BHTT
SCHEMBL6749716 0.80 PLA2G2D (0.41) RARB
SCHEMBL4870458 0.80 KDM4E (0.40) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7528750 0.79 HDAC1 (0.41) RARBHDAC1HDAC2HDAC3HDAC4
SCHEMBL6001958 0.79 RARB (0.41) RARB
SCHEMBL8729533 0.79 HDAC1 (0.44) RARBHDAC1HDAC2HDAC3HDAC4

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-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

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 RARB 1075/4885TP53 1984/4885TSHR 1958/4885

“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.