Benzene

Benzene

SCHEMBL1225972

ClC/C=C/c1ccccc1.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
PAM P19021 1/20 0.52
MAOB P27338 2/20 0.50
HTR2A P28223 3/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL15852 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL39674 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL9044783 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
Benzene SCHEMBL1225975 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL16162331 0.97 IDO1 (0.50) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL16162329 0.97 IDO1 (0.50) IDO1PAMMAOBHTR2ACYP11B1
Ammonia Solution, Strong SCHEMBL3755403 0.97 IDO1 (0.50) IDO1PAMMAOBHTR2ACYP11B1
1,1-Dichloroethene SCHEMBL9741142 0.89 PAM (0.48) IDO1PAMMAOBHTR2A
SCHEMBL10880315 0.89 IDO1 (0.44) IDO1PAMMAOBHTR2ASIGMAR1
Styrene SCHEMBL1507248 0.89 ALDH1A1 (0.58) IDO1PAMMAOBHTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459727-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-06-06 EP disclosed
US-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-05-17 US disclosed
WO-2011012632-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2011-02-03 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 (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-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION HDHD5, PAH, GRHPR IDO1 464/4885PAM 569/4885MAOB 501/4885

“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.