SCHEMBL3557738

SCHEMBL3557738

O=C(O)c1nc2ccc(O)cc2cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.43
PIM2 Q9P1W9 2/20 0.43
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
EPRS1 P07814 1/20 0.38
SMAD3 P84022 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CDK9 P50750 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36

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
SCHEMBL1352634 0.79 ALDH1A1 (0.59) PIM1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL31463621 0.79 ALDH1A1 (0.59) PIM1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL27905510 0.76 PDE3B (0.46) ESR1ESR2ESRRBESRRAALDH1A1
SCHEMBL5096004 0.75 ALDH1A1 (0.40) PIM1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28211226 0.73 ESR1 (0.42) ESR1ESR2ESRRBESRRAALDH1A1
SCHEMBL20681140 0.72 PIM1 (0.46) PIM1PIM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3922895 0.70 ESR2 (0.51) ESR1ESR2ESRRBESRRAPDE3B
SCHEMBL8540585 0.70 IKBKB (0.49) PIM1ESR1ESR2ALDH1A1MAPT
SCHEMBL3044443 0.70 ESR2 (0.54) ESR1ESR2ALDH1A1MAPTPDE3B
SCHEMBL2211860 0.69 MGAM (0.58) ESR1ESR2ALDH1A1MAPTSMN1; SMN2

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 PIM1 3707/4885PIM2 3017/4885ESR1 3148/4885

“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.