SCHEMBL6845758

SCHEMBL6845758

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1PC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PDE10A Q9Y233 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
GNRHR P30968 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL29732937 1.00 CA1 (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL2463060 0.85 SMN1; SMN2 (0.40) HTR1A
SCHEMBL29676737 0.85 SMN1; SMN2 (0.40) HTR1A
SCHEMBL30587348 0.79 PTPRC (0.32)
SCHEMBL16406236 0.77 SMN1; SMN2 (0.36) GNRHR
SCHEMBL28542865 0.77 KCNN4 (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL18323806 0.76 SMN1; SMN2 (0.43) HTR1AHTR2AHTR2B
SCHEMBL648482 0.75 BCHE (0.37)
SCHEMBL26968808 0.75 PDE10A (0.32) PDE10AHTR1A
SCHEMBL20143725 0.75 BRD4 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
EP-4294814-A1 METAL COMPLEXES HAVING 4-H, 6-H OR 8-H DIHYDROAZULENYL LIGANDS AND USE THEREOF Umicore AG & Co. KG (DE) 2023-12-27 EP disclosed
WO-2022175111-A1 METAL COMPLEXES HAVING 4-H, 6-H OR 8-H DIHYDROAZULENYL LIGANDS AND USE THEREOF UMICORE AG & CO. KG (DE) 2022-08-25 WO disclosed
EP-4047003-A1 METAL COMPLEXES WITH 4-H-, 6-H- OR 8-H-DIHYDROAZULENYL LIGANDS AND THEIR USE UMICORE AG & Co. KG (DE) 2022-08-24 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
CN-105492075-B Inhibitors of viral replication, their preparation method and their therapeutical uses HIVIH公司 2019-11-12 CN disclosed
CN-110023287-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2019-07-16 CN disclosed
CN-106317129-B amino ferrocene derivative and organic light emitting diode 郑建鸿 2019-06-14 CN disclosed
CN-109790149-A PHENOXYTRIAZOLES 豪夫迈·罗氏有限公司 2019-05-21 CN disclosed
CN-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed
CN-106317129-A Amino ferrocene derivative and organic light emitting diode 郑建鸿 2017-01-11 CN disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO 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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA7 3754/4885
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L CA1 3884/4885CA2 3103/4885CA7 2595/4885

“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.