Benzene

Benzene

SCHEMBL18322786

O=C(O)C(O)C1CCCC1.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38
METAP2 P50579 3/20 0.38
METAP1 P53582 1/20 0.38
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRM3 P20309 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 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
SCHEMBL16837771 0.95 EPHX1 (0.42) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL4412203 0.95 EPHX1 (0.42) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL8031374 0.95 EPHX1 (0.42) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL5686769 0.92 EPHX1 (0.46) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL8031276 0.92 EPHX1 (0.46) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL503695 0.92 EPHX1 (0.46) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL360610 0.92 EPHX1 (0.46) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL67018 0.92 EPHX1 (0.46) EPHX1LMNAMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5515976 0.90 EPHX1 (0.44) EPHX1LMNAMAPTALDH1A1KDM4E
SCHEMBL16837724 0.90

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
US-20180179156-A1 Glycopyrronium Fatty Acid Salts and Methods of Making Same QAAM PHARMACEUTICALS, LLC 2018-06-28 US disclosed
EP-3307250-A1 GLYCOPYRRONIUM FATTY ACID SALTS AND METHODS OF MAKING SAME QAAM Pharmaceuticals, LLC (US) 2018-04-18 EP disclosed
WO-2016204998-A1 GLYCOPYRRONIUM FATTY ACID SALTS AND METHODS OF MAKING SAME QAAM PHARMACEUTICALS, LLC (US) 2016-12-22 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-20180179156-A1 Glycopyrronium Fatty Acid Salts and Methods of Making Same FFAR3, FFAR2, FFAR4 EPHX1 2096/4885MEN1 3929/4885KMT2A 2289/4885

“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.