SCHEMBL2778025

SCHEMBL2778025

CSCC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
STING1 Q86WV6 1/20 0.34
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NR1H2 P55055 1/20 0.31
EPHX2 P34913 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL25226400 0.83 TSHR (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5089747 0.82 DGAT1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9784220 0.81 CCNB2 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL644646 0.80 TSHR (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9847789 0.77 TDP1 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28649015 0.77 HDAC1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3463059 0.77 TSHR (0.59) KDM4ELMNATSHR
SCHEMBL7674738 0.75 TSHR (0.56) STING1KDM4ELMNATSHREPHX2
SCHEMBL28811912 0.75 ALDH1A1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27622703 0.75 STING1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6

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
US-20110301168-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-08 US disclosed
WO-2010054113-A2 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-14 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-20110301168-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HDAC3 1215/4885HDAC1 1543/4885HDAC2 654/4885

“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.