SCHEMBL6049273

SCHEMBL6049273

CC(C)(C)OC(=O)c1cc2cc(C#CCCCc3cccc(O)c3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
FLT3 P36888 5/20 0.36
GABRA5 P31644 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRA4 P48169 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL6138803 0.85 SMAD3 (0.49) SRCCLK1DYRK1AFLT3KDM4E
SCHEMBL6049346 0.84 SRC (0.47) SRCCLK1DYRK1AFLT3KDM4E
SCHEMBL6049274 0.81 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6049272 0.76 GABRA1 (0.39) SRCGABRA1GABRG2GABRB3GABRA3
SCHEMBL6138810 0.69 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6049345 0.69 HRH3 (0.39) SRCCLK1DYRK1AFLT3KDM4E
SCHEMBL5795136 0.68 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL6139977 0.68 SMAD3 (0.58) SRCCLK1DYRK1AFLT3KDM4E
SCHEMBL832227 0.66 RAB9A (0.67) FLT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL318243 0.66 KDM4E (0.63) FLT3KDM4EALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2006-11-23 US disclosed
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-10-30 US 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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 SRC 4554/4885GABRA1 346/4885GABRG2 480/4885
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 SRC 4554/4885GABRA1 346/4885GABRG2 480/4885

“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.