SCHEMBL4845315

SCHEMBL4845315

CCCC1CCCCCC1O

nearest known ligand 0.95

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.95
CA2 P00918 6/20 0.95
CA4 P22748 6/20 0.95
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1A P35348 1/20 0.34
GBA1 P04062 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA6 P23280 4/20 0.32
SLC18A3 Q16572 2/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
SHBG P04278 1/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31

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
SCHEMBL4843212 1.00 CA1 (0.95) CA1CA2CA4CYP1A2ADRA2A
SCHEMBL18898271 0.98 CA1 (1.00) CA1CA2CA4CYP1A2ADRA2A
SCHEMBL12727802 0.98 CA1 (1.00) CA1CA2CA4CYP1A2ADRA2A
SCHEMBL2801857 0.98 CA1 (1.00) CA1CA2CA4CYP1A2ADRA2A
SCHEMBL12512547 0.98 CA1 (1.00) CA1CA2CA4CYP1A2ADRA2A
SCHEMBL12513262 0.98 CA1 (1.00) CA1CA2CA4CYP1A2ADRA2A
SCHEMBL4838403 0.93
SCHEMBL4843233 0.86 CA1 (0.72) CA1CA2CA4CYP1A2NOS1
SCHEMBL4844470 0.86 CA1 (0.72) CA1CA2CA4CYP1A2NOS1
SCHEMBL4640300 0.84 CA1 (0.75) CA1CA2CA4CYP1A2GBA1

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.