SCHEMBL9908794

SCHEMBL9908794

Cc1cc2c(cc1O)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
CCR6 P51684 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMAD3 P84022 4/20 0.38
P4HB P07237 3/20 0.38

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
SCHEMBL13205860 0.86 ALOX5 (0.44) CYP3A4ALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL2268770 0.82 CYP3A4 (0.56) CYP3A4ALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL8005199 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL14037758 0.77 RXRA (0.35) CYP3A4ALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL24434308 0.75 CYP3A4 (0.56) CYP3A4ALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL772701 0.73 HSP90AA1 (0.51) CYP3A4ALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL11698952 0.73 SHBG (0.39) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8259845 0.71 NPC1 (0.46) CYP3A4ALDH1A1HPGDACHEALOX5
SCHEMBL18103322 0.71 CYP3A4 (0.37) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL14284021 0.71 CYP3A4 (0.46) CYP3A4ALOX15CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020534-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-02-23 WO disclosed
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
EP-1515192-B1 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH CO LTD (JP) 2015-07-15 EP disclosed
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2013-10-31 US disclosed
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2013-10-31 US disclosed
EP-2468730-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND APPLICATION THEREOF Shenyang J & Health Pharmaceutical Co., Ltd. (CN) 2012-06-27 EP disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
WO-2009124872-A2 ANIONIC DYES AND HAIR DYE COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-10-15 WO disclosed
EP-2108406-A1 Anionic dyes and hair dye compositions containing them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-10-14 EP disclosed
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (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-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SLC5A1, VHL, AKR1A1 CYP3A4 99/4885ALOX15 3448/4885CYP1A2 132/4885
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P CYP3A4 2598/4885ALOX15 2054/4885CYP1A2 701/4885

“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.