SCHEMBL892127

SCHEMBL892127

CCCC[CH]CCCC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
SIGMAR1 Q99720 3/20 0.42
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 1/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL11288289 0.92 CYP1A2 (0.61) CYP1A2SIGMAR1TLR7BCHEACHE
SCHEMBL7228538 0.92 CYP1A2 (0.61) CYP1A2SIGMAR1TLR7BCHEACHE
SCHEMBL892110 0.90 CYP1A2 (0.65) CYP1A2SIGMAR1TLR7
SCHEMBL27267963 0.89 CYP1A2 (0.50) CYP1A2LMNAMAPK1HTT
SCHEMBL9300758 0.88 CYP1A2 (0.63) CYP1A2SIGMAR1HTT
SCHEMBL891264 0.88 CYP1A2 (0.63) CYP1A2SIGMAR1HTT
SCHEMBL6751554 0.88 CYP1A2 (0.63) CYP1A2SIGMAR1HTT
SCHEMBL891947 0.88 CYP1A2 (0.63) CYP1A2SIGMAR1HTT
SCHEMBL9242305 0.87 CYP1A2 (0.52) CYP1A2SIGMAR1
SCHEMBL27780787 0.86 CYP1A2 (0.59) CYP1A2SIGMAR1TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9261783-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-8697903-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-15 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 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-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID ARF1, FFAR3, RFC3 CYP1A2 3069/4885SIGMAR1 3475/4885TLR7 563/4885

“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.