Benzene

Benzene

SCHEMBL2333780

CC(=O)Cc1ccccc1.c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.64
CES2 O00748 1/20 0.64
AKR1B1 P15121 1/20 0.64
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTBP2 P56545 1/20 0.50
EPHX2 P34913 1/20 0.50
POLB P06746 1/20 0.50
PAM P19021 2/20 0.48
ABCC4 O15439 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL27618558 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL6698503 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL43943 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL11066939 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL7058395 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL10503945 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL3421936 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL9688483 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL1331954 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL9511700 1.00 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721606-B1 PHOTOPOLYMERISABLE COMPOSITION KODAK POLYCHROME GRAPHICS CO (US) 2000-03-15 EP claimed
US-7989424-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
EP-1354888-B1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES KISSEI PHARMACEUTICAL (JP) 2009-05-20 EP disclosed
US-20090093419-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES KISSEI PHARMACEUTICAL CO. LTD. (JP) 2009-04-09 US disclosed
US-7465713-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-16 US disclosed
US-7429568-B2 Antidiabetic agents; human SGLT2 (sodium ion / glucose cotransporter 2) inhibitors; hyperglycemia, obesity; 3-(6-O-ethoxycarbonyl- beta -D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methylpyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-30 US disclosed
US-7393838-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-01 US disclosed
US-7115575-B2 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-10-03 US disclosed
US-7084123-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-7056892-B2 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 US disclosed
US-20050137143-A1 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2005-06-23 US disclosed
EP-1213296-B1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2004-04-14 EP disclosed
CN-1145635-C Glucopyranosyloxypyrazole derivatives, pharmaceutical compositions containing the same and intermediates in their preparation ����ҩƷ��ҵ��ʽ���� 2004-04-14 CN disclosed
US-20040063646-A1 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1354888-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES Kissei Pharmaceutical Co., Ltd. (JP) 2003-10-22 EP disclosed
CN-1377363-A Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL (JP) 2002-10-30 CN disclosed
EP-1213296-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-06-12 EP disclosed
US-4762760-A FILM ON SUBSTRATE, ADHESION, FLEXIBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
US-4463171-A BACTERICIDES SANRAKU-OCEAN CO., LTD. (JP) 1984-07-31 US disclosed
US-4436904-A ANTIBIOTICS, BACTERICIDES KANTO ISHI PHARMACEUTICAL CO., LTD. (JP) 1984-03-13 US 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-20090093419-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES SLC5A2, SLC5A1, SLC2A4 CES1 346/4885CES2 396/4885AKR1B1 532/4885
US-20040063646-A1 Glucopyranosyloxypyrazole derivatives and use thereof in medicines SLC5A2, SLC5A1, UGGT1 CES1 353/4885CES2 424/4885AKR1B1 601/4885
US-20050137143-A1 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A1, SLC5A2, UGGT1 CES1 297/4885CES2 589/4885AKR1B1 230/4885

“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.