Benzene

Benzene

SCHEMBL5539349

Cn1cc(C(=O)CCl)c2ccccc21.c1ccccc1

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.97
ALDH1A1 P00352 3/20 0.97
MAPT P10636 2/20 0.97
NPSR1 Q6W5P4 2/20 0.97
MITF O75030 1/20 0.97
KMT2A Q03164 1/20 0.97
POLB P06746 1/20 0.62
NR4A2 P43354 1/20 0.58
HTT P42858 2/20 0.56
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51

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
SCHEMBL4106159 0.83 KMT2A (0.73) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL11227116 0.83 LMNA (0.68) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL15902449 0.83 LMNA (1.00) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL21282646 0.82 LMNA (0.71) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL14745414 0.82 LMNA (0.71) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL27249798 0.82 ALDH1A1 (0.71) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL29965768 0.81 POLB (0.72) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL535878 0.81 POLB (0.72) LMNAALDH1A1MAPTNPSR1MITF
Hydrochloric Acid SCHEMBL2434452 0.80 POLB (0.70) LMNAALDH1A1MAPTNPSR1MITF
SCHEMBL2434450 0.80 LMNA (0.68) LMNAALDH1A1MAPTNPSR1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229842-B2 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG GMBH (DE) 2007-06-12 US disclosed
US-20050214875-A1 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG, INC. 2005-09-29 US disclosed
US-6916667-B2 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG GMBH (DE) 2005-07-12 US disclosed
US-20040121490-A1 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG INC. 2004-06-24 US disclosed
US-6692975-B2 COMPOUNDS FOR USE IN THE DETECTION OF PREFERENTIAL PARTICLES IN SAMPLE DADE BEHRING MARBURG GMBH (DE) 2004-02-17 US disclosed
US-20020058280-A1 Metal chelate containing compositions for use in chemiluminescent assays SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2002-05-16 US disclosed
US-6340599-B1 TERBIUM, DYSPROSIUM, SAMARIUM, OSMIUM, OR RUTHENIUM COMPLEX WITH UNSATURATED OXYARYL COMPOUND DADE BEHRING MARBURG GMBH (DE) 2002-01-22 US disclosed
EP-1091211-A1 Metal chelate containing compositions for use in chemiluminescent assays Dade Behring Marburg GmbH (DE) 2001-04-11 EP disclosed
US-6180354-B1 RARE EARTH COMPLEX DADE BEHRING MARBURG GMBH (DE) 2001-01-30 US disclosed
US-5811311-A CONTAINING LATEX WITH SPECIFIC BINDING PAIR INCORPORATED THEREIN DADE BEHRING MARBURG GMBH (DE) 1998-09-22 US disclosed
US-5780646-A CHEMILUMINESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS BEHRINGWERKE AG (DE) 1998-07-14 US disclosed
US-5578498-A FOR DETERMINING AN ANALYTE IN A SAMPLE BEHRINGWERKE AG (DE) 1996-11-26 US disclosed
EP-0730738-A1 METAL CHELATE CONTAINING COMPOSITIONS FOR USE IN CHEMILUMINESCENT ASSAYS BEHRINGWERKE AG (DE) 1996-09-11 EP disclosed
US-5536834-A CHEMILUMINESCENCE COMPOUNDS FOR MEDICAL DIAGNOSIS BEHRINGWERKE AG (DE) 1996-07-16 US disclosed
WO-1995014928-A1 METAL CHELATE CONTAINING COMPOSITIONS FOR USE IN CHEMILUMINESCENT ASSAYS BEHRINGWERKE AG (DE) 1995-06-01 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 (2 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-20040121490-A1 Metal chelate containing compositions for use in chemiluminescent assays AOC1, LPO, SMOX LMNA 3164/4885ALDH1A1 1473/4885MAPT 4270/4885
US-20050214875-A1 Metal chelate containing compositions for use in chemiluminescent assays AOC1, LPO, SMOX LMNA 3164/4885ALDH1A1 1473/4885MAPT 4270/4885

“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.