SCHEMBL5886448

SCHEMBL5886448

CC(C)OC(=O)C(F)=C(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ADRA1A P35348 1/20 0.39
PDE4D Q08499 1/20 0.39
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL28493735 0.77 TSHR (0.37) TSHRADRA1APDE4DCA12CA1
SCHEMBL297916 0.76 TSHR (0.59) TSHRADRA1APDE4DCA12CA1
SCHEMBL5146416 0.74
SCHEMBL27926059 0.74 TSHR (0.56) TSHRADRA1APDE4DCA12CA1
SCHEMBL5070177 0.72
SCHEMBL5886602 0.72 TSHR (0.37) TSHRADRA1APDE4DCA12CA1
SCHEMBL28503411 0.72 TSHR (0.37) TSHRADRA1APDE4DCA12CA1
SCHEMBL11510451 0.71 TSHR (0.53) TSHRADRA1APDE4DCA12CA1
SCHEMBL20565358 0.71 TSHR (0.53) TSHRADRA1APDE4DCA12CA1
SCHEMBL3387637 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150491-B2 Bicyclohexane derivative compound and manufacturing method of the same MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2015-10-06 US disclosed
US-8598292-B2 Adamantane derivative, method for producing same, polymer using same as starting material, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-03 US disclosed
US-20130030211-A1 BICYCLOHEXANE DERIVATIVE COMPOUND AND MANUFACTURING METHOD OF THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-01-31 US disclosed
EP-2524907-A1 BICYCLOHEXANE DERIVATIVE AND PRODUCTION METHOD FOR SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2012-11-21 EP disclosed
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2011-12-29 US disclosed
US-7078562-B2 Adamantane derivatives and resin compositions using the same as raw material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-18 US disclosed
US-7067692-B2 Production method of adamantyl acrylate compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-06-27 US disclosed
US-20050158662-A1 Adamantane derivatives and resin compositions using the same as raw material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-07-21 US disclosed
US-20040210082-A1 Production method of adamantyl acrylate compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-10-21 US disclosed
EP-1468981-A1 Production method of adamantyl acrylate compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-10-20 EP 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 (3 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-20040210082-A1 Production method of adamantyl acrylate compounds APEH, CYP51A1, NAAA TSHR 1613/4885ADRA1A 725/4885PDE4D 855/4885
US-20130030211-A1 BICYCLOHEXANE DERIVATIVE COMPOUND AND MANUFACTURING METHOD OF THE SAME DDT, CYP1A2, CYP1B1 TSHR 1375/4885ADRA1A 1139/4885PDE4D 1987/4885
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION EEF1A1, ADGRF1, ERCC4 TSHR 3042/4885ADRA1A 236/4885PDE4D 3916/4885

“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.