SCHEMBL5146558

SCHEMBL5146558

CC(C)(C)c1ccc([C]2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
SLC6A2 P23975 1/20 0.45
TSHR P16473 1/20 0.44
FGF23 Q9GZV9 1/20 0.43
LMNA P02545 3/20 0.42
TYR P14679 1/20 0.42
HTR1D P28221 1/20 0.41
ADRA1A P35348 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 2/20 0.38
KDM4E B2RXH2 2/20 0.37
XDH P47989 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4329010 0.98 SLC6A2 (0.47) KIF11SLC6A2TSHRFGF23LMNA
SCHEMBL5144847 0.95 FGF23 (0.47) KIF11SLC6A2TSHRFGF23LMNA
SCHEMBL2882525 0.90 KIF11 (0.50) KIF11SLC6A2TSHRFGF23LMNA
SCHEMBL5147795 0.76 KIF11 (0.50) KIF11TSHRNISCHKDM4EALDH1A1
SCHEMBL3423876 0.76 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL26915 0.76 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL5146537 0.74 KIF11 (0.48) KIF11TSHRNISCHKDM4EALDH1A1
SCHEMBL22418954 0.74 ACMSD (0.42) KIF11SLC6A2TSHRFGF23LMNA
SCHEMBL1931781 0.73 KIF11 (0.67) KIF11TSHRLMNATYRHTR1D
Lithium SCHEMBL30081449 0.73 KIF11 (0.67) KIF11TSHRLMNATYRHTR1D

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
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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 (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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 KIF11 862/4885SLC6A2 2171/4885TSHR 1447/4885

“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.