Benzene

Benzene

SCHEMBL4960434

CCC(CC)C[C@](C)(N)C(=O)O.c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
BLM P54132 2/20 0.39
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
CYP1A2 P05177 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
ADRA1A P35348 1/20 0.36

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
Benzene SCHEMBL27719900 1.00 GGT1 (0.39) GGT1BLMARG1ARG2CYP1A2
SCHEMBL264732 0.96 GGT1 (0.42) GGT1BLMARG1ARG2CYP1A2
SCHEMBL27601822 0.96 GGT1 (0.42) GGT1BLMARG1ARG2CYP1A2
Hydrochloric Acid SCHEMBL4330886 0.94 GGT1 (0.41) GGT1BLMARG1ARG2CYP1A2
Hydrochloric Acid SCHEMBL28437650 0.94 GGT1 (0.41) GGT1BLMARG1ARG2CYP1A2
SCHEMBL27620513 0.84 GGT1 (0.37) GGT1BLMARG1ARG2CYP1A2
SCHEMBL27699329 0.83 TSHR (0.46) BLMCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL4339686 0.83 TSHR (0.46) BLMCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL27601885 0.82 CACNA2D1 (0.40) GGT1BLMARG1ARG2ADRA1A
SCHEMBL27665657 0.81 NR3C1 (0.37) BLMCYP1A2ALDH1A1MEN1KMT2A

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-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP claimed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US claimed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO claimed

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-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 GGT1 1955/4885BLM 4359/4885ARG1 18/4885

“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.