SCHEMBL3487683

SCHEMBL3487683

COc1ccc(C(OCC(CO)CO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.50
KCNH2 Q12809 1/20 0.43
SLC6A1 P30531 2/20 0.42
SLC6A11 P48066 1/20 0.42
DUT P33316 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
AHR P35869 1/20 0.40

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
SCHEMBL16214813 0.97 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11DUT
SCHEMBL841606 0.87 DUT (0.48) KIF11SLC6A1DUTCYP2C9TSHR
SCHEMBL15730746 0.87 KIF11 (0.43) KIF11KCNH2SLC6A1SLC6A11DUT
SCHEMBL15281845 0.87 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11TSHR
SCHEMBL9508740 0.87 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL3490250 0.87 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11TSHR
SCHEMBL13881801 0.86 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL15709164 0.86 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL2897015 0.85 KIF11 (0.61) KIF11KCNH2SLC6A1SLC6A11CYP2C9
SCHEMBL1263156 0.85 KIF11 (0.61) KIF11KCNH2SLC6A1SLC6A11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 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-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 KIF11 4511/4885KCNH2 2472/4885SLC6A1 1141/4885
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 KIF11 4511/4885KCNH2 2472/4885SLC6A1 1141/4885

“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.