SCHEMBL4843720

SCHEMBL4843720

CCCCC1CCCCC(O)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
TLR4 O00206 1/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
TSHR P16473 1/20 0.36
CNR2 P34972 4/20 0.36
LSS P48449 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
GLB1 P16278 1/20 0.34

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
SCHEMBL4842023 0.98 CYP1A2 (0.65) CYP1A2LMNAMAPK1HTTCA1
SCHEMBL4843185 0.96 CYP1A2 (0.56) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL14104023 0.90 CYP1A2 (0.48) CYP1A2CNR2LSS
SCHEMBL13095873 0.88 CYP1A2 (0.47) CYP1A2CNR2LSS
SCHEMBL16974802 0.88 CYP1A2 (0.47) CYP1A2CNR2LSS
SCHEMBL5227653 0.88 CYP1A2 (0.47) CYP1A2CNR2LSS
SCHEMBL4845153 0.87 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL4843048 0.87 CA1 (0.45) CYP1A2CA1CA2CA4NOS1
SCHEMBL10805853 0.87 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL4843706 0.85 CYP1A2 (0.46) CYP1A2CA1CA2CA4NOS1

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 CYP1A2 1008/4885LMNA 3809/4885MAPK1 586/4885

“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.