Benzene

Benzene

SCHEMBL3676205

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.39
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
KLK7 P49862 1/20 0.36
SLC18A3 Q16572 1/20 0.36
ALOX15 P16050 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL4464866 0.95 TSHR (0.42) SMN1; SMN2TSHRALDH1A1ALOX15CHRM2
SCHEMBL10711004 0.95 TSHR (0.42) SMN1; SMN2TSHRALDH1A1ALOX15CHRM2
SCHEMBL15196486 0.95 TSHR (0.42) SMN1; SMN2TSHRALDH1A1ALOX15CHRM2
Acetone SCHEMBL15323054 0.87 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1ALOX15CHRM2
SCHEMBL18668942 0.81 SMN1; SMN2 (0.36) SMN1; SMN2TSHRPPARAALOX15
SCHEMBL18668796 0.81 SMN1; SMN2 (0.36) SMN1; SMN2TSHRPPARASLC18A3ALOX15
SCHEMBL18668881 0.79 SMN1; SMN2 (0.35) SMN1; SMN2TSHRALDH1A1SLC18A3
SCHEMBL12314325 0.78 TSHR (0.43) SMN1; SMN2TSHRALDH1A1ALOX15CHRM2
SCHEMBL12314349 0.78 TSHR (0.43) SMN1; SMN2TSHRALDH1A1ALOX15CHRM2
SCHEMBL3047899 0.78 SMN1; SMN2 (0.41) SMN1; SMN2PPARGPPARAKLK7CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214881-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-09-04 US claimed
US-20080194782-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-08-14 US claimed
US-7674943-B2 Solid, hydrocarbon-insoluble, catalyst component containing magnesium, titanium, and halogen, and further contains an internal electron donor which does not contain a phthalate derivative, for example, ethyl (phenylacetoxy)acetate; stereospecific polymerization; highly crystalline propylene polymers INEOS USA LLC (US) 2010-03-09 US disclosed
US-20080214881-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-09-04 US disclosed
US-20080194782-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-08-14 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 (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-20080214881-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR SMN1; SMN2 2925/4885TSHR 294/4885PPARG 2045/4885
US-20080194782-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR SMN1; SMN2 2925/4885TSHR 294/4885PPARG 2045/4885

“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.