SCHEMBL6683559

SCHEMBL6683559

CCCCCCOc1c(F)cc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.48
THRB P10828 6/20 0.48
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 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
SCHEMBL14261934 1.00 THRA (0.48) THRATHRBCCNB2CCNE2CDK1
SCHEMBL13062423 0.92 CCNB2 (0.46) THRATHRBCCNB2CCNE2CDK1
SCHEMBL17806146 0.83 THRA (0.42) THRATHRBCCNB2CCNE2CDK1
SCHEMBL17208971 0.81 TSHR (0.49) THRATHRBMAPTNR5A1PLA2G2A
SCHEMBL11398840 0.81 THRA (0.61) THRATHRBKMT2AS1PR2S1PR1
SCHEMBL20696030 0.81 THRA (0.61) THRATHRBKMT2AS1PR2S1PR1
SCHEMBL20696027 0.81 THRA (0.61) THRATHRBKMT2AS1PR2S1PR1
SCHEMBL21821361 0.79 THRA (0.47) THRATHRBKMT2ANPSR1S1PR3
SCHEMBL8648702 0.79 MEN1 (0.54) THRATHRBKMT2AS1PR2S1PR1
SCHEMBL12634965 0.79 MEN1 (0.54) THRATHRBKMT2AS1PR2S1PR1

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 THRA 3556/4885THRB 3897/4885CCNB2 893/4885

“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.