SCHEMBL3206468

SCHEMBL3206468

CCCCCCC1(CCCCCC)c2cc(C#N)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDK2 Q15119 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
SLC6A4 P31645 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGLL Q99685 1/20 0.36
PGR P06401 1/20 0.35
CYP2A6 P11509 1/20 0.34
CYP19A1 P11511 3/20 0.34
ICMT O60725 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
SCHEMBL4502871 1.00 TSHR (0.43) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL28243665 0.93 PDK2 (0.47) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL20147099 0.93 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL16023952 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL4506235 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL16013671 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL16024254 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL20046033 0.87 ALDH1A1 (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL17511234 0.87 PGR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL18012828 0.87 PDK2 (0.49) TSHRHSD17B10PDK2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128506-B Multifunctional copolymers containing rare earth metal complexes and devices thereof UNIV SINGAPORE 2010-12-29 CN disclosed
US-7679082-B2 Multi-functional copolymers comprising rare earth metal complexes and devices thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-03-16 US disclosed
CN-101128506-A Multifunctional copolymers containing rare earth metal complexes and devices thereof UNIV SINGAPORE (SG) 2008-02-20 CN disclosed
US-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-12-20 US disclosed
WO-2006052222-A2 MULTI-FUNCTIONAL COPOLYMERS COMPRISING RARE EARTH METAL COMPLEXES AND DEVICES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2006-05-18 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 (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-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof ZRANB2, BAZ1A, BAZ2B TSHR 4269/4885HSD17B10 3054/4885PDK2 1995/4885

“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.