SCHEMBL2079708

SCHEMBL2079708

O=C(O)Cc1cccc2c1-c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.53
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AKR1B1 P15121 2/20 0.50
NFE2L2 Q16236 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
ELANE P08246 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PTGS2 P35354 1/20 0.43
CDC25B P30305 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL11102725 0.93 ALDH1A1 (0.56) KEAP1ALDH1A1L3MBTL1AKR1B1NFE2L2
SCHEMBL19202478 0.89 MAPT (0.48) KEAP1ALDH1A1L3MBTL1AKR1B1NFE2L2
SCHEMBL11884130 0.87 AKR1B1 (0.55) ALDH1A1AKR1B1TDP1CYP1A2DUSP3
SCHEMBL2956925 0.86 ALDH1A1 (0.56) KEAP1ALDH1A1L3MBTL1AKR1B1TDP1
SCHEMBL5154125 0.83 PTGER1 (0.54) KEAP1ALDH1A1L3MBTL1NFE2L2CYP1A2
SCHEMBL22357534 0.83 TDP1 (0.43) KEAP1ALDH1A1L3MBTL1AKR1B1TDP1
SCHEMBL10686141 0.80 ALDH1A1 (0.50) KEAP1ALDH1A1L3MBTL1NFE2L2TDP1
SCHEMBL5347523 0.79 KEAP1 (0.50) KEAP1ALDH1A1L3MBTL1NFE2L2TDP1
SCHEMBL5150190 0.79 ALDH1A1 (0.52) KEAP1ALDH1A1L3MBTL1NFE2L2POLB
SCHEMBL31256477 0.78 ELANE (0.68) ALDH1A1L3MBTL1AKR1B1TDP1HSD17B10

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-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

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 KEAP1 602/4885ALDH1A1 2540/4885L3MBTL1 3321/4885

“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.