SCHEMBL6687682

SCHEMBL6687682

CCCCCOc1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
HPGD P15428 1/20 0.45
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NSD2 O96028 1/20 0.43
NSD3 Q9BZ95 1/20 0.43

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
SCHEMBL6660945 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL30294102 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8216929 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8216926 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8773981 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL7790281 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8751869 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8751890 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8751850 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2
SCHEMBL8751858 0.98 THRA (0.51) SMN1; SMN2NPSR1THRATHRBCYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109423298-B Novel dibenzothiophene liquid crystal compound and preparation method and application thereof 北京八亿时空液晶科技股份有限公司 2020-09-11 CN disclosed
CN-109423297-B Dibenzothiophene liquid crystal compound and preparation method and application thereof 北京八亿时空液晶科技股份有限公司 2020-08-11 CN disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed
US-6737125-B2 SUCH AS 8,9-DIFLUORO-7-(4-PENTYLPHENYL)-2-PROPYL-2,3-DIHYDRO-1H -CYCLOPENTA(A)NAPHTHALENE; FOR USE IN AUTOMOBILE INTERIORS CLARIANT FINANCE (BVI) LIMITED (VG) 2004-05-18 US disclosed
US-20030108684-A1 Such as 8,9-difluoro-7-(4-pentylphenyl)-2-propyl-2,3-dihydro-1H -cyclopenta(a)naphthalene; for use in automobile interiors CLARIANT INTERNATIONAL LTD. 2003-06-12 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 (2 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-20030108684-A1 Such as 8,9-difluoro-7-(4-pentylphenyl)-2-propyl-2,3-dihydro-1H -cyclopenta(a)naphthalene; for use in automobile interiors SCO2, CYP2F1, OGFOD1 SMN1; SMN2 1335/4885NPSR1 3957/4885THRA 3556/4885
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S SMN1; SMN2 3837/4885NPSR1 3893/4885THRA 3521/4885

“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.