SCHEMBL4844633

SCHEMBL4844633

CC(C)(C)C1CCCC(O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
EPHX1 P07099 1/20 0.38
LIPA P38571 1/20 0.31
CNR2 P34972 2/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ESR2 Q92731 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL4846911 0.95 TSHR (0.43) TSHREPHX1LIPAESR2MEN1
SCHEMBL4844027 0.90 TSHR (0.50) TSHREPHX1LIPAMEN1HTT
SCHEMBL22815 0.85
SCHEMBL18634343 0.84 TSHR (0.36) TSHREPHX1CNR2
SCHEMBL22252171 0.84 TSHR (0.36) TSHREPHX1CNR2
SCHEMBL8387339 0.84 TSHR (0.36) TSHREPHX1CNR2
SCHEMBL13154335 0.84 TSHR (0.36) TSHREPHX1CNR2
SCHEMBL8390236 0.84 TSHR (0.36) TSHREPHX1CNR2
SCHEMBL636500 0.84 TSHR (0.36) TSHREPHX1CNR2
SCHEMBL579272 0.82 EPHX1 (0.40) TSHREPHX1LIPACYP2D6KCNH2

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 2363/4885EPHX1 593/4885LIPA 1505/4885

“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.