Benzene

Benzene

SCHEMBL6698503

CC(=O)Cc1ccccc1.c1ccccc1.c1ccccc1.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
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 SCHEMBL2333780 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108395465-B A kind of synthetic method of dexamethasone epoxy hydrolysate 浙江仙居仙乐药业有限公司 2019-07-30 CN disclosed
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 US disclosed
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC 2004-02-19 US disclosed
US-6649620-B2 Particularly in the treatment of benign prostatic hyperplasia. PFIZER INC. 2003-11-18 US disclosed
CN-1429104-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase type 5 and 3 and methods of use thereof ENDORECH INC (CA) 2003-07-09 CN disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 US disclosed
US-20030045525-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2003-03-06 US disclosed
EP-0875506-B1 Quinoline and quinazoline compounds useful in therapy PFIZER LTD (GB) 2003-02-26 EP disclosed
CN-1322130-A Inhibition of type 3 alpha-hydroxysteroid dehydrogenase ENDORECH INC (CA) 2001-11-14 CN disclosed
CN-1041920-C Glycerin derivative and its pharmacological use EISAI CO LTD (JP) 1999-02-03 CN disclosed
EP-0875506-A1 Quinoline and quinazoline compounds useful in therapy Pfizer Limited (GB) 1998-11-04 EP disclosed
US-5476863-A Inhibitors of platelet activating factor and diseases caused thereby; stability EISAI CO., LTD. (JP) 1995-12-19 US disclosed
EP-0353474-B1 Glycerin derivative and its pharmacological use EISAI CO LTD (JP) 1995-04-05 EP disclosed
US-5273985-A A 1-phenylaminocarbonyl-2-sulfoamidophenyleneamino-3-pyrid-2-ylaminocarbonyl glyceride EISAI CO., LTD. (JP) 1993-12-28 US disclosed
US-5037827-A Useful for treatment of disease caused by platelet activating factory EISAI CO., LTD. (JP) 1991-08-06 US disclosed
EP-0353474-A2 Glycerin derivative and its pharmacological use Eisai Co., Ltd. (JP) 1990-02-07 EP disclosed
CN-1039414-A Glycerol derivatives and pharmaceutical use thereof EISAI CO LTD (JP) 1990-02-07 CN disclosed
US-4463171-A BACTERICIDES SANRAKU-OCEAN CO., LTD. (JP) 1984-07-31 US disclosed
US-4318847-A ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-03-09 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-20030045525-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, BPHL CES1 1276/4885CES2 1923/4885AKR1B1 393/4885
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, SDHA CES1 1323/4885CES2 1893/4885AKR1B1 388/4885
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 CES1 92/4885CES2 482/4885AKR1B1 113/4885

“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.