SCHEMBL4694883

SCHEMBL4694883

O=C(c1ccc(F)cc1)c1ccc(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 3/20 0.55
SRD5A2 P31213 1/20 0.54
HPGD P15428 1/20 0.54
HSD11B1 P28845 1/20 0.51
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
PYGL P06737 3/20 0.47
LTA4H P09960 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MDM2 Q00987 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL8611329 0.90 NPC1 (0.53) GAAALDH1A1LMNAPKMNPC1
SCHEMBL611648 0.89 SRD5A2 (0.70) GAAALDH1A1LMNAPKMNPC1
SCHEMBL4575092 0.89 ALDH1A1 (0.54) GAAALDH1A1LMNAPKMNPC1
SCHEMBL2861947 0.88 HPGD (0.61) GAAALDH1A1LMNAPKMNPC1
SCHEMBL3531609 0.86 SRD5A2 (0.49) GAAALDH1A1LMNAPKMNPC1
SCHEMBL9440410 0.86 SRD5A2 (0.49) GAAALDH1A1LMNAPKMNPC1
SCHEMBL28399803 0.85 GAA (0.50) GAAALDH1A1LMNAPKMNPC1
SCHEMBL28464953 0.85 MAPT (0.52) GAAALDH1A1LMNAPKMNPC1
SCHEMBL9662542 0.82 MAPT (0.68) GAAALDH1A1LMNANPC1HPGD
SCHEMBL8845890 0.81 HPGD (0.46) GAAALDH1A1LMNAPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100486973-C Novel benzodioxoles HOFFMANN LA ROCHE (CH) 2009-05-13 CN disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
CN-1671684-A New benzodioxoles HOFFMANN LA ROCHE (CH) 2005-09-21 CN disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed
EP-0600318-B1 Asymmetric, halogenated benzophenones and process for their preparation CLARIANT GMBH (DE) 1998-04-08 EP disclosed
EP-0600318-A1 Asymmetric, halogenated benzophenones and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-08 EP disclosed
US-4454350-A Process for the acylation of halo- or trihalomethylbenzenes RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1984-06-12 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-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 GAA 1559/4885ALDH1A1 299/4885LMNA 4186/4885

“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.