SCHEMBL4186955

SCHEMBL4186955

CCCCc1ccc(-c2ccc(Br)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.56
NPC1 O15118 2/20 0.48
NFKB1 P19838 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
MPL P40238 2/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
EIF4A1 P60842 2/20 0.39
SKP2 Q13309 1/20 0.39
FDFT1 P37268 1/20 0.39

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
SCHEMBL222565 0.95 RARB (0.61) RARBNPC1NFKB1RAB9ANFKB2
SCHEMBL6687468 0.94 RARB (0.64) RARBNPC1NFKB1RAB9ANFKB2
SCHEMBL6685346 0.94 RARB (0.64) RARBNPC1NFKB1RAB9ANFKB2
SCHEMBL6686529 0.94 RARB (0.64) RARBNPC1NFKB1RAB9ANFKB2
SCHEMBL6684291 0.90 RARB (0.48) RARBNPC1NFKB1RAB9ANFKB2
SCHEMBL10975470 0.87 RARB (0.61) RARBRARARARGMPLS1PR1
SCHEMBL9176105 0.86 RARB (0.58) RARBNPC1NFKB1RAB9ANFKB2
SCHEMBL9662908 0.85 RARB (0.59) RARBRARARARGMPLS1PR1
SCHEMBL14175170 0.85 RARB (0.59) RARBRARARARGMPLS1PR1
SCHEMBL10986630 0.84 RARB (0.58) RARBRARARARGMPLS1PR1

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
EP-1126006-B1 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2009-03-04 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
US-6569505-B2 Holography MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2003-05-27 US disclosed
US-20020142108-A1 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-10-03 US disclosed
EP-1126006-A2 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2001-08-22 EP 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 RARB 3320/4885NPC1 37/4885NFKB1 1620/4885
US-20020142108-A1 Liquid crystal compounds, liquid crystal medium and liquid crystal display CDC25C, TEC, PLK1 RARB 3418/4885NPC1 2218/4885NFKB1 1738/4885

“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.