SCHEMBL3558451

SCHEMBL3558451

O=C1c2ccccc2-c2c1cccc2-c1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.61
PARP1 P09874 4/20 0.56
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL9725333 0.81 DHODH (0.77) DHODHPARP1KDM4E
SCHEMBL2310564 0.81 MGAM (0.62)
SCHEMBL506401 0.80 DHODH (0.59) DHODHPARP1KDM4ERAB9A
SCHEMBL1298432 0.79 DHODH (0.94) DHODHPARP1
SCHEMBL1889612 0.78 PARP1 (0.80) DHODHPARP1KDM4ERAB9A
SCHEMBL2314062 0.77 NPC1 (0.57) ALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL1889016 0.76 DHODH (0.59) DHODHPARP1
SCHEMBL2310248 0.76 PARP1 (0.47) DHODHPARP1ALDH1A1L3MBTL1RAB9A
SCHEMBL1298094 0.76 DHODH (0.61) DHODHPARP1KDM4E
SCHEMBL505661 0.76 DHODH (1.00) DHODHPARP1

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-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 DHODH 3140/4885PARP1 2606/4885ALDH1A1 3050/4885

“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.