SCHEMBL6687063

SCHEMBL6687063

CCc1ccc(-c2ccc(Br)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RARB P10826 1/20 0.40
CHKA P35790 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9226451 0.89 CHKA (0.41) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL6684291 0.86 RARB (0.48) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL10981111 0.85 CHKA (0.45) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL4186955 0.83 RARB (0.56) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL19007867 0.83 RARB (0.43) LMNARARBCHKAGCGRMAPK14
SCHEMBL13253648 0.83 RARB (0.43) LMNARARBCHKAGCGRMAPK14
SCHEMBL19007861 0.83 CHKA (0.44) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL222565 0.82 RARB (0.61) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL11672033 0.81 GRM2 (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL26036249 0.81 CHKA (0.43) ALOX5APFEN1MAPTALDH1A1LMNA

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-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 (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 ALOX5AP 1261/4885FEN1 458/4885MMP1 2414/4885

“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.