Benzene

Benzene

SCHEMBL4097129

CCCN(CCC)C(C)=O.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
P2RX1 P51575 2/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX3 P56373 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL483128 0.92 CA12 (0.55) TP53CA12CA2CA9TSHR
SCHEMBL13055372 0.89 CA12 (0.52) TP53CA12CA2CA9TSHR
SCHEMBL13055370 0.89 CA12 (0.52) TP53CA12CA2CA9TSHR
SCHEMBL13055369 0.89 CA12 (0.52) TP53CA12CA2CA9TSHR
Hydrochloric Acid SCHEMBL3020939 0.89 CA12 (0.52) TP53CA12CA2CA9TSHR
SCHEMBL29189112 0.83 ALDH1A1 (0.47) CA12CA2CA9TSHRMAPK1
SCHEMBL8630891 0.82 CA12 (0.46) TP53CA12CA2CA9TSHR
SCHEMBL498627 0.82 CA12 (0.54) TP53CA12CA2CA9TSHR
SCHEMBL498285 0.81
SCHEMBL15468694 0.80 CA12 (0.44) TP53CA12CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491915-B1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO LTD (JP) 2019-07-03 EP disclosed
US-8362105-B2 Dental curable composition and kit for such dental curable composition SUN MEDICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-2491915-A1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO., LTD. (JP) 2012-08-29 EP disclosed
US-20120213832-A1 REMOVABLE DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20090258966-A1 Dental Composition NIHON UNIVERSITY (JP) 2009-10-15 US disclosed
US-20090137697-A1 Dental Curable Composition and Kit for Such Dental Curable Composition SUN MEDICAL CO., LTD. (JP) 2009-05-28 US disclosed
EP-1938781-A1 DENTAL CURABLE COMPOSITION AND KIT FOR SUCH DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-6071983-A FOR TREATING TOOTH SURFACE BY FACILE HANDLING; FOR RESTORING A TOOTH-SURFACE WITH COATING MATERIAL OR RESTORING DENTAL RESTORATIVE RESINS SUN MEDICAL CO., LTD. (JP) 2000-06-06 US disclosed
EP-0684034-B1 Primer solution composition for dental bonding SUN MEDICAL CO LTD (JP) 2000-03-08 EP disclosed
US-5834532-A BLEND OF POLYMERIZABLE MONOMER HAVING ACIDIC GROUPS AND AN INITIATOR SUN MEDICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5670559-A TREATMENT OF TEETH WITH COMPOUNDS OF IRON, COPPER AND COBALT SUN MEDICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5587406-A APPLYING CURABLE PRIMER COMPOSITION COMPRISING POLYMERIZABLE MONOMER HAVING ACID GROUP AND POLYMERIZABLE MONOMER HAVING HYDROXYL GROUP AND POLYMERIZATION INITIATOR TO TOOTH SUN MEDICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5530038-A CONTAINING UNSATURATED MONOMER WITH ACIDIC GROUP, UNSATURATED MONOMER WITH HYDROXYL GROUP, POLYMERIZATION INITIATOR, AMINE COMPOUND, ZIRCONIUM OXIDE AND ORGANIC COMPOSITE FILLERS SUN MEDICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0684034-A1 Primer solution composition for dental bonding SUN MEDICAL CO., LTD. (JP) 1995-11-29 EP 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 (3 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-20090258966-A1 Dental Composition DCPS, MMAB, CAD TP53 2372/4885CA12 1088/4885CA2 149/4885
US-20120213832-A1 REMOVABLE DENTAL CURABLE COMPOSITION SMARCA5, SMARCA1, SMARCA2 TP53 3956/4885CA12 2035/4885CA2 2609/4885
US-20090137697-A1 Dental Curable Composition and Kit for Such Dental Curable Composition SETDB1, SETD1B, SETD2 TP53 4156/4885CA12 1173/4885CA2 1052/4885

“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.