SCHEMBL999206

SCHEMBL999206

[C-]#[N+]c1cc(C)cc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ACHE P22303 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TPMT P51580 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ C1S P09871 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ SELL P14151 1/20 0.30
▸ SELP P16109 1/20 0.30
▸ SELE P16581 1/20 0.30

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
SCHEMBL13312950 0.94 ALDH1A1 (0.33) ALDH1A1TSHRACHECA1CA9
SCHEMBL12400058 0.82 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10243144 0.82 ACHE (0.36) ACHE
SCHEMBL12262679 0.77 CYP2A6 (0.38) —
SCHEMBL12399933 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13172756 0.75 TPMT (0.40) HPGDL3MBTL1TPMTPRSS1PRSS2
SCHEMBL13172652 0.75 TPMT (0.61) ALDH1A1TSHRHPGDTPMTCA1
SCHEMBL13172650 0.73 TPMT (0.39) HPGDTPMT
SCHEMBL1641881 0.73 — —
SCHEMBL2614501 0.71 — —

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014838-B Compound and preparation method and application thereof 山东师范大学 2024-03-19 — — CN claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 — — WO claimed
CN-113956232-B Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-09-16 — — CN claimed
CN-114014838-A Compound and preparation method and application thereof 山东师范大学 2022-02-08 — — CN claimed
CN-113956232-A Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-01-21 — — CN claimed
EP-4079742-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2026-04-01 — — EP disclosed
CN-114014838-B Compound and preparation method and application thereof 山东师范大学 2024-03-19 — — CN disclosed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 — — WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-113956232-B Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-09-16 — — CN disclosed
CN-114014838-A Compound and preparation method and application thereof 山东师范大学 2022-02-08 — — CN disclosed
CN-113956232-A Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-01-21 — — CN disclosed
US-8207198-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2012-06-26 — — US disclosed
EP-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 — — EP disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 — — US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 — — US disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 — — WO disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 — — US disclosed
US-7351389-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2008-04-01 — — US disclosed
US-20080020981-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-01-24 — — 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 ALDH1A1 618/4885TSHR 4526/4885ACHE 1808/4885
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS ALDH1A1 1414/4885TSHR 4657/4885ACHE 208/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR ALDH1A1 3751/4885TSHR 247/4885ACHE 1261/4885
US-20080020981-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, HPRT1, NQO2 ALDH1A1 566/4885TSHR 3181/4885ACHE 961/4885

“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.

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