SCHEMBL418510

SCHEMBL418510

C=CC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TGM2 P21980 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
GLA P06280 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5406288 0.80 HSD11B1 (0.50) HSD11B1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5413875 0.80 PKM (0.46) HSD11B1L3MBTL1TGM2MEN1KMT2A
SCHEMBL26229888 0.78 TSHR (0.42) MEN1KMT2ATHRBALDH1A1GAA
SCHEMBL7127597 0.78 HSD11B1 (0.43) HSD11B1L3MBTL1MEN1KMT2ATHRB
Acrylic Acid SCHEMBL29281853 0.77 THRB (0.45) HSD11B1L3MBTL1TGM2THRBCYP2C9
Water SCHEMBL10350218 0.76 HSD11B1 (0.42) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL11760000 0.76 ALDH1A1 (0.42) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL18433707 0.76 P2RX7 (0.36) HSD11B1L3MBTL1TGM2MEN1KMT2A
SCHEMBL13764831 0.73 TGM2 (0.48) HSD11B1L3MBTL1TGM2MEN1KMT2A
SCHEMBL3101322 0.72 HSD11B1 (0.46) HSD11B1L3MBTL1MEN1KMT2AHTT

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-114163659-A Three-dimensional dynamic self-repairing photonic crystal hydrogel based on cyclodextrin inclusion and construction method thereof 江苏大学 2022-03-11 CN claimed
US-12037679-B2 Method of forming a diamond film APPLIED MATERIALS, INC. (US) 2024-07-16 US disclosed
US-20230279540-A1 METHOD OF FORMING A DIAMOND FILM APPLIED MATERIALS, INC. (US) 2023-09-07 US disclosed
US-20230279540-A1 METHOD OF FORMING A DIAMOND FILM APPLIED MATERIALS, INC. (US) 2023-09-07 US disclosed
CN-114163659-A Three-dimensional dynamic self-repairing photonic crystal hydrogel based on cyclodextrin inclusion and construction method thereof 江苏大学 2022-03-11 CN disclosed
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
CN-110563868-A Polyester fatty enamide modified adamantane, corrosion-resistant and drag-reducing coating and preparation method thereof 四川轻化工大学 2019-12-13 CN disclosed
US-9359277-B2 Compositions and processes of preparing and using the same PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 US disclosed
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 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 (4 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 HSD11B1 78/4885L3MBTL1 4412/4885TGM2 3861/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 HSD11B1 2009/4885L3MBTL1 2538/4885TGM2 1207/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HSD11B1 2009/4885L3MBTL1 2538/4885TGM2 1207/4885
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C HSD11B1 4105/4885L3MBTL1 944/4885TGM2 697/4885

“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.