SCHEMBL4843732

SCHEMBL4843732

CC(C)C1CCCCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SHBG P04278 2/20 0.44
EPHX2 P34913 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
EPHX1 P07099 1/20 0.30
TP53 P04637 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
SCHEMBL14651997 0.95 SHBG (0.44) TSHRSHBGEPHX2
SCHEMBL2683318 0.95 SHBG (0.44) TSHRSHBGEPHX2
SCHEMBL4845915 0.90 TSHR (0.47) TSHRSHBG
SCHEMBL6757968 0.89 SHBG (0.52) TSHRSHBGEPHX2
SCHEMBL766799 0.89 SHBG (0.52) TSHRSHBGEPHX2
SCHEMBL42884 0.89 SHBG (0.52) TSHRSHBGEPHX2
SCHEMBL140725 0.81
SCHEMBL24256310 0.80 DPP4 (0.39) TSHRSHBG
SCHEMBL4840491 0.80 TSHR (0.43) TSHRSHBGCA12CA1CA2
SCHEMBL4892144 0.80 SHBG (0.44) TSHRSHBGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010584-A Method for synthesizing arone by oxidizing benzyl tertiary carbon broken bond under catalysis of iron 南京师范大学 2022-09-06 CN disclosed
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

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 2363/4885SHBG 4583/4885EPHX2 459/4885

“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.