SCHEMBL891945

SCHEMBL891945

CCCCC[CH]C1(CCCCCC)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CETP P11597 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL891263 1.00 TSHR (0.35) TSHRFAAHTRPV1CETPCNR1
SCHEMBL892108 0.94 TSHR (0.30) TSHRCETP
SCHEMBL19692426 0.90 TSHR (0.39) TSHRFAAHTRPV1
SCHEMBL19692218 0.90 TSHR (0.39) TSHRFAAHTRPV1
SCHEMBL892126 0.84 CETP (0.32) CETP
SCHEMBL12098984 0.84 TSHR (0.33) TSHR
SCHEMBL9646862 0.80 TSHR (0.38) TSHRFAAHTRPV1CETPCNR1
SCHEMBL11503129 0.80 TSHR (0.38) TSHRFAAHTRPV1CETPCNR1
SCHEMBL2236262 0.78 TSHR (0.34) TSHRFAAHTRPV1CETPCNR1
SCHEMBL2233783 0.76 TSHR (0.33) TSHRCETPCNR1CNR2

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 TSHR 2812/4885FAAH 9/4885TRPV1 2668/4885

“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.