SCHEMBL6689239

SCHEMBL6689239

CCCCCCOc1ccc(Br)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
SMPD1 P17405 4/20 0.40
PTPN11 Q06124 3/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5866536 1.00 THRA (0.43) THRATHRBL3MBTL1SMPD1PTPN11
SCHEMBL9706362 1.00 THRA (0.43) THRATHRBL3MBTL1SMPD1PTPN11
SCHEMBL27945646 1.00 THRA (0.43) THRATHRBL3MBTL1SMPD1PTPN11
SCHEMBL15087087 0.98 L3MBTL1 (0.42) THRATHRBL3MBTL1SMPD1PTPN11
SCHEMBL7911521 0.93 CYP1A2 (0.42) THRATHRBL3MBTL1MAPTMEN1
SCHEMBL29479209 0.93 CYP1A2 (0.42) THRATHRBL3MBTL1MAPTMEN1
SCHEMBL28629692 0.87 HPGD (0.41) L3MBTL1MAPTMEN1LMNAHTR2B
SCHEMBL19160763 0.87 NR5A1 (0.50) THRATHRBL3MBTL1MAPTMEN1
SCHEMBL19160350 0.87 NR5A1 (0.50) THRATHRBL3MBTL1MAPTMEN1
SCHEMBL19160557 0.87 NR5A1 (0.50) THRATHRBL3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed
CN-102585839-B Cyclohexadiene polyfluoro liquid crystal compound and preparation method thereof UNIV SHAANXI NORMAL 2013-12-11 CN 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
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 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-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 THRA 3556/4885THRB 3897/4885L3MBTL1 405/4885

“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.