Benzene

Benzene

SCHEMBL1877772

CCOC(=O)C(=O)O.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLO1 Q04760 1/20 0.44
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43

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
SCHEMBL98770 0.94
SCHEMBL27705013 0.92
Ammonia Solution, Strong SCHEMBL27437639 0.92
SCHEMBL28119764 0.92
Oxalic Acid SCHEMBL27581908 0.92 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTCA12
Hydrochloric Acid SCHEMBL943803 0.92
SCHEMBL28863989 0.92
Fluoride SCHEMBL27810482 0.92
SCHEMBL29240048 0.92
SCHEMBL28035895 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012486-B2 Composition for treating atopic dermatitis comprising hirsutenone as an active ingredient CHUNG-ANG UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2011-09-06 US disclosed
US-7939623-B2 Composition containing flavan compound TOYO SHINYAKU CO., LTD. (JP) 2011-05-10 US disclosed
US-7863466-B2 Method of producing proanthocyanidin-containing material TOYO SHINYAKU CO., LTD. (JP) 2011-01-04 US disclosed
US-20100190729-A1 Composition for treating atopic dermatitis comprising hirsutanonol or oregonin as an active ingredient CHUNG-ANG UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2010-07-29 US disclosed
US-20100190862-A1 Composition for treating atopic dermatitis comprising hirsutenone as an active ingredient CHUNG-ANG UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2010-07-29 US disclosed
US-20090124818-A1 METHOD OF PRODUCING PROANTHOCYANIDIN-CONTAINING MATERIAL TOYO SHINYAKU CO., LTD. (JP) 2009-05-14 US disclosed
US-20070293415-A1 Composition Containning Flavan Compound TOYO SHINYAKU CO., LTD. (JP) 2007-12-20 US disclosed
US-20070184126-A1 Water-soluble bound matter of proanthocyandin and composition containing the same TOYO SHINYAKU CO., LTD. (JP) 2007-08-09 US disclosed
US-20060177525-A1 Process for producing proanthocyanin-rich material TOYO SHINYAKU CO., LTD. (JP) 2006-08-10 US disclosed
EP-1602653-A1 PROCESS FOR PRODUCING PROANTHOCYANIN-RICH MATERIAL Toyo Shinyaku Co., Ltd. (JP) 2005-12-07 EP disclosed
US-20050158409-A1 Food improving blood flow TOYO SHINYAKU CO., LTD. (JP) 2005-07-21 US disclosed
EP-1547591-A1 FOOD IMPROVING BLOOD FLOW Toyo Shinyaku Co., Ltd. (JP) 2005-06-29 EP 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-20100190729-A1 Composition for treating atopic dermatitis comprising hirsutanonol or oregonin as an active ingredient MBTD1, DBNL, HMOX2 MEN1 2989/4885KMT2A 4193/4885ALDH1A1 422/4885
US-20100190862-A1 Composition for treating atopic dermatitis comprising hirsutenone as an active ingredient IL5, IL4, IL17A MEN1 4584/4885KMT2A 2112/4885ALDH1A1 779/4885

“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.