SCHEMBL4844949

SCHEMBL4844949

CCC(C)C1CCCCCC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
SHBG P04278 2/20 0.39
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC18A3 Q16572 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 0.30
EPHX2 P34913 2/20 0.30
SLC6A4 P31645 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
SCHEMBL4847122 1.00 CA1 (0.40) CA1CA2CA4SHBGEPHX1
SCHEMBL25692572 0.98 CA1 (0.41) CA1CA2CA4SHBGEPHX1
SCHEMBL4840529 0.98 CA1 (0.41) CA1CA2CA4SHBGEPHX1
SCHEMBL18595189 0.98 CA1 (0.41) CA1CA2CA4SHBGEPHX1
SCHEMBL13104323 0.93 CA1 (0.37) CA1CA2CA4SHBGKDM4E
SCHEMBL12886104 0.93 CA1 (0.37) CA1CA2CA4SHBGKDM4E
SCHEMBL4845164 0.93 CA1 (0.37) CA1CA2CA4SHBGKDM4E
SCHEMBL12069650 0.80 CA1 (0.43) CA1CA2CA4TSHR
SCHEMBL18638209 0.80 CA1 (0.43) CA1CA2CA4TSHR
SCHEMBL2307844 0.79 GBA1 (0.34) CA1CA2CA4SHBGKDM4E

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 CA1 1026/4885CA2 2767/4885CA4 1056/4885

“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.