SCHEMBL892128

SCHEMBL892128

[CH2]CCC(CCCC)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 3/20 0.33
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP12 P39900 1/20 0.32
ECE1 P42892 1/20 0.32
MMP13 P45452 1/20 0.32
TSHR P16473 1/20 0.31
EPHX1 P07099 8/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL5710495 0.93 SHBG (0.36) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL27993178 0.92 SHBG (0.39) SHBGCYP1A2SIGMAR1MMP1MMP7
SCHEMBL20600342 0.88 SHBG (0.41) SHBGCYP1A2EPHX1ALDH1A1
SCHEMBL12803213 0.88 SHBG (0.41) SHBGCYP1A2EPHX1ALDH1A1
SCHEMBL892111 0.87 SHBG (0.38) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL19175664 0.86 SHBG (0.43) SHBGCYP1A2SIGMAR1MMP1MMP7
SCHEMBL1679990 0.85 SHBG (0.36) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL2689574 0.85 SHBG (0.39) SHBGCYP1A2EPHX1ALDH1A1
SCHEMBL9205067 0.84 SHBG (0.37) SHBGCYP1A2SIGMAR1MMP1MMP7
SCHEMBL28304962 0.84 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1

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 SHBG 4601/4885CYP1A2 3069/4885SIGMAR1 3475/4885

“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.