SCHEMBL4028852

SCHEMBL4028852

Cc1cccc([C@H]2[CH]CN(CCCCO)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
KIF11 P52732 4/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
SMYD2 Q9NRG4 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4027189 0.97 KCNH2 (0.35) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4020571 0.97 KCNH2 (0.35) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4026679 0.93 L3MBTL1 (0.34) KCNH2KIF11ALDH1A1KMT2ARORC
SCHEMBL4024600 0.93 L3MBTL1 (0.34) KCNH2KIF11ALDH1A1KMT2ARORC
SCHEMBL4026061 0.90 KIF11 (0.43) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4027448 0.89 KDM2B (0.37) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4025178 0.88 KIF11 (0.45) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4026766 0.88 KIF11 (0.41) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4021821 0.88 KIF11 (0.41) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4022602 0.86 POLB (0.41) ALDH1A1LMNAKMT2A

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KCNH2 3099/4885KIF11 3745/4885ALDH1A1 258/4885

“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.