SCHEMBL3856291

SCHEMBL3856291

C[C@@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1cc(O)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 8/20 0.40
PDK2 Q15119 8/20 0.40
PDK3 Q15120 8/20 0.40
PDK4 Q16654 8/20 0.40
HSP90AA1 P07900 2/20 0.40
KMT2A Q03164 2/20 0.39
MGLL Q99685 2/20 0.35
MEN1 O00255 1/20 0.34
PPIA P62937 1/20 0.34

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
SCHEMBL3853643 1.00 PDK1 (0.40) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL3854657 0.91 PDK1 (0.42) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL3854646 0.91 PDK1 (0.42) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL3858814 0.89 PDK1 (0.39) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL3856517 0.89 PDK1 (0.39) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL3855286 0.88 CPS1 (0.43) KMT2AMGLLMEN1
SCHEMBL3861316 0.85 KMT2A (0.49) KMT2AMEN1
SCHEMBL3854629 0.85 KMT2A (0.49) KMT2AMEN1
SCHEMBL3860943 0.83 KMT2A (0.46) KMT2AMGLLMEN1
SCHEMBL3863242 0.83 KMT2A (0.46) KMT2AMGLLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US claimed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 US claimed
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 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-20060058337-A1 Phenanthridine carbonyl phenols MT-CO2, PAH, CBR3 PDK1 821/4885PDK2 695/4885PDK3 540/4885

“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.