SCHEMBL2076411

SCHEMBL2076411

O=C1c2ccccc2-c2c1cccc2-c1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
BIRC5 O15392 1/20 0.48
PDGFRB P09619 4/20 0.47
PDGFRA P16234 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
MAP4K4 O95819 1/20 0.46
CSNK1G2 P78368 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
CYP2A6 P11509 1/20 0.45
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL2079173 0.77 CDK8 (0.56) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL27851922 0.76 BIRC5 (0.48) CA12CA1CA2CA9BIRC5
SCHEMBL30547072 0.76 PDGFRB (0.60) CA12CA1CA2CA9BIRC5
SCHEMBL2198777 0.76 PDGFRB (0.60) CA12CA1CA2CA9BIRC5
SCHEMBL2076567 0.75 HSP90AA1 (0.57) NPC1RAB9A
SCHEMBL2772360 0.74 PDGFRB (0.77) CA12CA1CA2CA9BIRC5
SCHEMBL32667946 0.74 PDGFRB (0.77) CA12CA1CA2CA9BIRC5
SCHEMBL24648292 0.74 BIRC5 (0.46) CA12CA1CA2CA9BIRC5
SCHEMBL5952923 0.73 BRD4 (0.53) CA12CA1CA2CA9BIRC5
SCHEMBL13979047 0.73 PDGFRB (0.54) CA12CA1CA2CA9BIRC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 CA12 4755/4885CA1 4480/4885CA2 4346/4885

“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.