SCHEMBL4026066

SCHEMBL4026066

Cc1c(F)cccc1[C@H]1[CH]CN(CCCC(F)(F)F)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
KDM2B Q8NHM5 4/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL4776847 0.89 ESRRG (0.33) ESR1KDM2BMEN1KMT2A
SCHEMBL4751428 0.87 KIF11 (0.34)
SCHEMBL4809484 0.86 ADRB2 (0.33)
SCHEMBL4025458 0.86 NPC1 (0.36) KDM2BMEN1KMT2A
SCHEMBL4024173 0.85 KDM2B (0.33) KDM2BMEN1KMT2A
SCHEMBL4026418 0.84 KDM1A (0.32) KDM2B
SCHEMBL4816419 0.82 ESR1 (0.30) ESR1
SCHEMBL4778298 0.80 MC4R (0.35) ESR1
SCHEMBL4751598 0.80 MET (0.30)
SCHEMBL4751728 0.79 MEN1 (0.31) ESR1KDM2BMEN1KMT2A

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 ESR1 1025/4885KDM2B 3090/4885GRIN1 4435/4885

“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.