SCHEMBL4847697

SCHEMBL4847697

CC1CCCCC(O)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
EPHX1 P07099 1/20 0.38
SHBG P04278 1/20 0.33
ESR2 Q92731 2/20 0.31
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
ACHE P22303 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
SCHEMBL13767338 0.97 TSHR (0.56) TSHRCA1CA2CA4EPHX1
SCHEMBL2193782 0.97 TSHR (0.56) TSHRCA1CA2CA4EPHX1
SCHEMBL15906213 0.94
Cyclohexanol SCHEMBL4224631 0.94 TSHR (0.59) TSHRCA1CA2CA4EPHX1
SCHEMBL1006983 0.94
SCHEMBL19272821 0.91 TSHR (0.62) TSHRCA1CA2CA4EPHX1
SCHEMBL12202956 0.91 TSHR (0.62) TSHRCA1CA2CA4EPHX1
SCHEMBL1007065 0.88 TSHR (0.56) TSHRCA1CA2CA4EPHX1
SCHEMBL20364220 0.88 TSHR (0.56) TSHRCA1CA2CA4EPHX1
SCHEMBL441286 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710223-B1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7332632-B2 Method for producing aldehyde compound or ketone compound by using microreactor Ubē Industries, Ltd. (JP) 2008-02-19 US disclosed
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2007-06-28 US disclosed
EP-1710223-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR Ube Industries, Ltd. (JP) 2006-10-11 EP disclosed
US-4652670-A Cycloalkyl esters of mercaptoalkanoic acids INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-03-24 US disclosed
US-4590082-A FOR FOODS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-05-20 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-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor ADH1C, ADH1A, ALDH1A1 TSHR 2363/4885CA1 1026/4885CA2 2767/4885

“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.