Benzene

Benzene

SCHEMBL3450679

CC(=O)NC(CO)C(=O)O.c1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
PTGS2 P35354 1/20 0.59
THPO P40225 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TGFBR1 P36897 3/20 0.59
ALDH1A1 P00352 2/20 0.57
MME P08473 6/20 0.46
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
GNPAT O15228 1/20 0.41
CPA1 P15085 1/20 0.41
CPA2 P48052 1/20 0.41

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
SCHEMBL2122264 0.95 MAPT (0.64) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL79541 0.95 MAPT (0.64) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL79542 0.95 MAPT (0.64) MAPTKDM4ETHRBALOX15NFKB1
Phosphine SCHEMBL27436960 0.93 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
Hydrogen Sulfide SCHEMBL28866152 0.93 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
Nitrogen SCHEMBL28192495 0.91 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Biphenyl SCHEMBL28800728 0.90 TGFBR1 (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL10346770 0.88 KDM4E (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3503686 0.87 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3503684 0.87 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785768-B1 O-ACYL SERINES AS DEODORANTS GILLETTE CO (US) 2001-11-28 EP claimed
US-5800804-A DEODORIZING COMPOSITION USING AMINO ACID DERIVATIVES THE GILLETTE COMPANY (US) 1998-09-01 US claimed
US-5431904-A O-acyl serines as deodorants THE GILLETTE COMPANY (US) 1995-07-11 US claimed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
EP-0785768-B1 O-ACYL SERINES AS DEODORANTS GILLETTE CO (US) 2001-11-28 EP disclosed
US-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-5648513-A DEODORANTS LANEY JUDITH WOLFE (US) 1997-07-15 US disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
US-5431904-A O-acyl serines as deodorants THE GILLETTE COMPANY (US) 1995-07-11 US disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
WO-1995007069-A1 O-ACYL SERINES AS DEODORANTS THE GILLETTE COMPANY (US) 1995-03-16 WO disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 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 (3 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 MAPT 3591/4885KDM4E 816/4885THRB 2704/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 MAPT 3591/4885KDM4E 816/4885THRB 2704/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 MAPT 4264/4885KDM4E 1461/4885THRB 2541/4885

“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.