SCHEMBL11954263

SCHEMBL11954263

CCCOc1cccc(C(C)CC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 1/20 0.49
ROCK1 Q13464 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ROCK2 O75116 1/20 0.46
DYRK3 O43781 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
AKT2 P31751 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
PRKX P51817 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKG2 Q13237 1/20 0.46

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
SCHEMBL14119424 0.92 TSHR (0.51) KDM4ETSHRHDAC4HDAC2HDAC8
SCHEMBL5018851 0.86 KDM4E (0.69) KDM4ETSHRKMT2AROCK1ROCK2
SCHEMBL23889177 0.85 KDM4E (0.49) KDM4ETSHRHDAC4HDAC2HDAC8
SCHEMBL19121811 0.83 HDAC4 (0.44) KDM4ETSHRHDAC4HDAC2HDAC8
SCHEMBL9166568 0.83 TSHR (0.53) KDM4ETSHRKMT2AROCK1ROCK2
SCHEMBL6863042 0.83 HDAC4 (0.50) KDM4ETSHRHDAC4HDAC2HDAC8
SCHEMBL4279317 0.83 KDM4E (0.53) KDM4ETSHRKMT2AROCK1ROCK2
SCHEMBL3034249 0.83 KMT2A (0.53) KDM4ETSHRKMT2AROCK1ROCK2
SCHEMBL19121486 0.83 HDAC4 (0.46) KDM4ETSHRHDAC4HDAC2HDAC8
SCHEMBL16958025 0.83 KDM4E (0.53) KDM4ETSHRKMT2AROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 KDM4E 1311/4885TSHR 2528/4885KMT2A 1696/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885TSHR 1187/4885KMT2A 3837/4885

“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.