SCHEMBL4871834

SCHEMBL4871834

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
PTPN11 Q06124 2/20 0.36
NR5A1 Q13285 1/20 0.36
PDK2 Q15119 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
S1PR1 P21453 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL4870576 1.00 RARB (0.39) RARBPTPN11NR5A1PDK2CYP3A4
SCHEMBL4862352 0.99 RARB (0.38) RARBPTPN11NR5A1PDK2CYP3A4
SCHEMBL4862292 0.99 RARB (0.38) RARBPTPN11NR5A1PDK2CYP3A4
SCHEMBL4866961 0.93 NR5A1 (0.41) RARBPTPN11NR5A1PDK2CYP3A4
SCHEMBL4870437 0.88 RARB (0.41) RARBCYP3A4S1PR1ALDH1A1
SCHEMBL4871535 0.87 MEN1 (0.46) RARBPTPN11CYP3A4S1PR1ALDH1A1
SCHEMBL4861274 0.86 CNR2 (0.40) RARBPTPN11NR5A1PDK2CYP3A4
SCHEMBL9563685 0.86 RARB (0.50) RARBPTPN11NR5A1CYP3A4CYP2D6
SCHEMBL9563879 0.86 RARB (0.50) RARBPTPN11NR5A1CYP3A4CYP2D6
SCHEMBL9563757 0.86 RARB (0.50) RARBPTPN11NR5A1CYP3A4CYP2D6

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 1075/4885PTPN11 933/4885NR5A1 676/4885

“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.