SCHEMBL891264

SCHEMBL891264

CCCCCCC[CH]CCCCCCC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
SIGMAR1 Q99720 3/20 0.48
EPHX1 P07099 1/20 0.38
LSS P48449 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL891947 1.00 CYP1A2 (0.63) CYP1A2SIGMAR1EPHX1LSSALDH1A1
SCHEMBL9300758 1.00 CYP1A2 (0.63) CYP1A2SIGMAR1EPHX1LSSALDH1A1
SCHEMBL6751554 1.00 CYP1A2 (0.63) CYP1A2SIGMAR1EPHX1LSSALDH1A1
SCHEMBL892110 0.98 CYP1A2 (0.65) CYP1A2SIGMAR1EPHX1NAAA
SCHEMBL27780787 0.90 CYP1A2 (0.59) CYP1A2SIGMAR1EPHX1
SCHEMBL19692221 0.90 CYP1A2 (0.46) CYP1A2EPHX1LSSALDH1A1MEN1
SCHEMBL1681647 0.90 CYP1A2 (0.46) CYP1A2EPHX1LSSALDH1A1MEN1
SCHEMBL19692427 0.90 CYP1A2 (0.46) CYP1A2EPHX1LSSALDH1A1MEN1
SCHEMBL11169649 0.89 CYP1A2 (0.63) CYP1A2SIGMAR1
SCHEMBL60056 0.89 CYP1A2 (0.63) CYP1A2SIGMAR1

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 3475/4885EPHX1 263/4885

“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.