SCHEMBL5886622

SCHEMBL5886622

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL1879893 0.86 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL6140603 0.81 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL2957666 0.76 MAPT (0.55) ALDH1A1MAPT
SCHEMBL5900905 0.75 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL3819533 0.74 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL5147015 0.73 DGAT1 (0.36) DGAT1
SCHEMBL3836211 0.73 DGAT1 (0.36) DGAT1CA14
SCHEMBL2350046 0.73 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL6685352 0.73 DGAT1 (0.32) DGAT1CA14
SCHEMBL6685348 0.73 DGAT1 (0.32) DGAT1CA14

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 11 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-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-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-6835528-B2 Has high transparency at a wavelength of 157 nm and which therefore permits a greater layer thickness in photolithography for the production of microchips INFINEON TECHNOLOGIES AG (DE) 2004-12-28 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
US-20030157432-A1 Fluorine-containing photoresist having reactive anchors for chemical amplification and improved copolymerization properties POLARIS INNOVATIONS LIMITED (IE) 2003-08-21 US disclosed
WO-2003003112-A1 NONLINEAR OPTICAL CHIRAL COMPOUNDS AND DEVICES INCORPORATING SAME KVH INDUSTRIES, INC. (US) 2003-01-09 WO 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 (2 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 ALDH1A1 71/4885MAPT 937/4885DGAT1 1511/4885
US-20130030211-A1 BICYCLOHEXANE DERIVATIVE COMPOUND AND MANUFACTURING METHOD OF THE SAME DDT, CYP1A2, CYP1B1 ALDH1A1 924/4885MAPT 2877/4885DGAT1 1355/4885

“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.