SCHEMBL3687007

SCHEMBL3687007

CC1CCCC2(CO)CCCCC12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL13125044 0.85 MAPT (0.33) MAPTCA1CA2CA4
SCHEMBL18571361 0.78 MAPT (0.32) MAPTCA1CA2CA4
SCHEMBL13125052 0.74 CA1 (0.31) CA1CA2CA4
SCHEMBL18573429 0.73
SCHEMBL1247590 0.72 RET (0.33)
SCHEMBL7735127 0.69 TSHR (0.35) MAPT
SCHEMBL5473307 0.69 TSHR (0.35) MAPT
SCHEMBL12493822 0.68 CYP19A1 (0.50)
SCHEMBL28222130 0.68 CYP19A1 (0.50)
SCHEMBL27483884 0.67 TSHR (0.34) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
US-9447013-B2 Method for producing oxide DAICEL CORPORATION (JP) 2016-09-20 US disclosed
US-20160159722-A1 METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2016-06-09 US disclosed
EP-3023407-A1 METHOD FOR PRODUCING OXIDE Daicel Corporation (JP) 2016-05-25 EP disclosed
EP-2248792-B1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEM (JP) 2013-11-27 EP disclosed
US-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-16 US disclosed
EP-2248792-A1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed
EP-2116303-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME Daicel Chemical Industries, Ltd. (JP) 2009-11-11 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-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME AOC2, NOXO1, NOX1 MAPT 4867/4885CA1 241/4885CA2 419/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 MAPT 4291/4885CA1 1580/4885CA2 1213/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 MAPT 3504/4885CA1 88/4885CA2 577/4885

“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.