SCHEMBL16823391

SCHEMBL16823391

O=c1occcc1Cc1cccoc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
CTRC Q99895 2/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTPN1 P18031 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.33
HSPA5 P11021 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27429798 0.85 CTRC (0.53) CA1CA9CTRCCES2CES1
SCHEMBL981305 0.83
SCHEMBL1532454 0.81
SCHEMBL27429828 0.80 CYP2C9 (0.44) POLBMAPTKMT2ATDP1ALDH1A1
SCHEMBL10425151 0.78 ELANE (0.39) CA1CA9POLBMAPTKMT2A
SCHEMBL27740710 0.76 TSHR (0.57) CA1CA9CTRCPOLBMAPT
SCHEMBL9618185 0.76 IDO1 (0.44) CA1CA9
SCHEMBL11131884 0.76 GABRA1 (0.41) CA1CA9MAPTKMT2ATDP1
SCHEMBL30458138 0.76 GABRA1 (0.45) CA1CA9POLBMAPTKMT2A
SCHEMBL4649113 0.76 AKR1B1 (0.50) POLBMAPTKMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434452-B2 Detergents and cleaning agents having improved performance HENKEL AG & CO. KGAA (DE) 2022-09-06 US disclosed
EP-3743496-B1 DETERGENTS AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO KGAA (DE) 2022-01-05 EP disclosed
EP-3743496-A1 DETERGENTS AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE Henkel AG & Co. KGaA (DE) 2020-12-02 EP disclosed
US-20200354653-A1 Detergents And Cleaning Agents Having Improved Performance HENKEL AG & CO. KGAA (DE) 2020-11-12 US disclosed
WO-2019145158-A1 DETERGENTS AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2019-08-01 WO disclosed
EP-3083921-B1 DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2019-06-12 EP disclosed
US-9714402-B2 Washing and cleaning agent HENKEL AG & CO. KGAA (DE) 2017-07-25 US disclosed
US-9714402-B2 Washing and cleaning agent HENKEL AG & CO. KGAA (DE) 2017-07-25 US disclosed
EP-3083921-A1 WASHING AND CLEANING AGENT Henkel AG & Co. KGaA (DE) 2016-10-26 EP disclosed
EP-3083921-A1 WASHING AND CLEANING AGENT Henkel AG & Co. KGaA (DE) 2016-10-26 EP disclosed
US-20160289603-A1 WASHING AND CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2016-10-06 US disclosed
US-20160289603-A1 WASHING AND CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2016-10-06 US disclosed
WO-2015091124-A1 WASHING AND CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
WO-2015091124-A1 WASHING AND CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
CN-101972291-B Helichrysum arenarium Moench extractive as well as preparation method and application thereof UNIV HARBIN MEDICAL 2012-11-21 CN disclosed
CN-101972291-A Helichrysum arenarium Moench extractive as well as preparation method and application thereof UNIV HARBIN MEDICAL 2011-02-16 CN 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-20200354653-A1 Detergents And Cleaning Agents Having Improved Performance HDHD5, DERL1, WASHC4 CA1 3066/4885CA9 2793/4885CTRC 711/4885
US-11434452-B2 Detergents and cleaning agents having improved performance HDHD5, DERL1, WASHC4 CA1 3066/4885CA9 2793/4885CTRC 711/4885

“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.