SCHEMBL4847323

SCHEMBL4847323

CCC1CCCCCC1O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.62
CA2 P00918 6/20 0.62
CA4 P22748 6/20 0.62
CA6 P23280 4/20 0.33
SLC18A3 Q16572 3/20 0.33
SHBG P04278 1/20 0.33
PTGS1 P23219 7/20 0.33
PTGS2 P35354 6/20 0.33
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1110014 1.00 CA1 (0.62) CA1CA2CA4CA6SLC18A3
SCHEMBL16995166 0.97
SCHEMBL43179 0.97
SCHEMBL13973916 0.97
SCHEMBL11967081 0.97
SCHEMBL3038801 0.97
SCHEMBL12127053 0.97
SCHEMBL14161812 0.97
SCHEMBL3038803 0.97
SCHEMBL2288017 0.92

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 9 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US 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
EP-0902786-B1 SYNTHESIS OF CYCLOALKYLDIARYLPHOSPHINES ALBEMARLE CORP (US) 2005-06-22 EP disclosed
EP-0902786-A1 SYNTHESIS OF CYCLOALKYLDIARYLPHOSPHINES ALBEMARLE CORPORATION (US) 1999-03-24 EP disclosed
US-5710340-A Synthesis of cycloalkyldiarylphosophines ALBEMARLE CORPORATION (US) 1998-01-20 US disclosed
WO-1997041131-A1 SYNTHESIS OF CYCLOALKYLDIARYLPHOSPHINES ALBEMARLE CORPORATION (US) 1997-11-06 WO 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 (2 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 CA1 2748/4885CA2 555/4885CA4 2304/4885
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.