SCHEMBL17344795

SCHEMBL17344795

CC(C)c1[nH]c2cc3ccccc3cc2c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
AHR P35869 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL30234429 0.79 CCNB2 (0.56) KIF11HSD17B10KDM4ELMNACCNB2
SCHEMBL10280325 0.79 CCNB2 (0.56) KIF11HSD17B10KDM4ELMNACCNB2
SCHEMBL10743051 0.76 AHR (0.56) KIF11HSD17B10KDM4ELMNAAHR
SCHEMBL29385786 0.76 AHR (0.56) KIF11HSD17B10KDM4ELMNAAHR
SCHEMBL12219479 0.74 AHR (0.61) KIF11HSD17B10KDM4ELMNAAHR
SCHEMBL12219473 0.74 AHR (0.61) KIF11HSD17B10KDM4ELMNAAHR
SCHEMBL19731074 0.74 AHR (0.61) KIF11HSD17B10KDM4ELMNAAHR
SCHEMBL28675865 0.74 KIF11 (0.62) KIF11HSD17B10KDM4ELMNAAHR
SCHEMBL25538992 0.73 KIF11 (0.56) KIF11KDM4ELMNAMEN1KMT2A
SCHEMBL5716702 0.72 AHR (0.74) KIF11HSD17B10KDM4EAHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA KIF11 4256/4885HSD17B10 2053/4885KDM4E 546/4885

“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.