Benzene

Benzene

SCHEMBL1222682

CC(=O)ON1CCCCC1.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL27917310 0.93 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7531109 0.93 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2793304 0.93 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL192669 0.93 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL863868 0.91 ALDH1A1 (0.35) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL8681009 0.91
SCHEMBL200065 0.91
Hydrochloric Acid SCHEMBL4957612 0.88 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHTTGAA
Propionic Acid SCHEMBL28214094 0.87 FFAR3 (0.42) HPGDALDH1A1MEN1KMT2ALMNA
Propionic Acid SCHEMBL28044674 0.87 FFAR3 (0.42) HPGDALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633225-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2014-01-21 US disclosed
EP-2032118-B1 COSMETIC COMPOSITIONS CONTAINING PIPERIDINIUM COMPOUNDS BEIERSDORF AG (DE) 2012-12-19 EP disclosed
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2011-02-24 US disclosed
US-7851633-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2010-12-14 US disclosed
EP-2032118-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM Beiersdorf AG (DE) 2009-03-11 EP disclosed
US-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2007-12-20 US disclosed
WO-2007141289-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2007-12-13 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 (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-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them CUTA, DPM1, TRPA1 HPGD 2105/4885ALDH1A1 155/4885MEN1 4672/4885
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM CUTA, DPM1, TRPA1 HPGD 2105/4885ALDH1A1 155/4885MEN1 4672/4885

“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.