SCHEMBL4844004

SCHEMBL4844004

CC(C)CC1CCCCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SHBG P04278 1/20 0.35
CTSK P43235 5/20 0.33
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
LTA4H P09960 1/20 0.30
CTSH P09668 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
SCHEMBL4846505 0.96 TSHR (0.38) TSHRSHBG
SCHEMBL4844966 0.91 TSHR (0.41) TSHRSHBGCTSK
SCHEMBL101943 0.91 SHBG (0.41) TSHRSHBG
SCHEMBL6759381 0.91 SHBG (0.41) TSHRSHBG
SCHEMBL12471468 0.91 SHBG (0.41) TSHRSHBG
SCHEMBL198169 0.83
SCHEMBL4835227 0.83 TSHR (0.38) TSHR
SCHEMBL1192695 0.81 CYP1A2 (0.40) SHBGCTSKCTSLCTSBLTA4H
SCHEMBL3032410 0.81 CYP1A2 (0.40) SHBGCTSKCTSLCTSBLTA4H
SCHEMBL198845 0.81 CYP1A2 (0.40) SHBGCTSKCTSLCTSBLTA4H

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 4 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

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 4583/4885CTSK 2487/4885

“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.