SCHEMBL6428124

SCHEMBL6428124

O[C@@]1(Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ HTR1A P08908 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ TACR2 P21452 3/20 0.40
▸ PTPN1 P18031 7/20 0.40
▸ CDC25B P30305 6/20 0.40
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ PTPN2 P17706 3/20 0.38
▸ PTPN11 Q06124 3/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GJB2 P29033 1/20 0.37

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
SCHEMBL7908255 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7545172 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7541321 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL6428120 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7616207 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7544031 1.00 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL9386370 0.96 BCHE (0.45) BCHEACHEHTR1ANT5ETACR2
SCHEMBL8596282 0.96 BCHE (0.45) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7440204 0.87 NT5E (0.47) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7770786 0.84 HTR1A (0.42) BCHEACHEHTR1ANT5ETACR2

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
US-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 — — US disclosed
EP-1264836-B1 Processes for the preparation of indolopyrrolocarbazole derivatives BANYU PHARMA CO LTD (JP) 2004-12-01 — — EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 — — US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 — — US disclosed
US-20030080320-A1 Alpha- haloenamine reagents PHARMACIA CORPORATION 2003-05-01 — — US disclosed
EP-1264836-A1 Processes for the preparation of indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 — — EP disclosed
EP-0688329-B1 NOVEL PHOSPHOLIPID-SACCHARIDE CONJUGATES GENZYME CORP (US) 2002-05-15 — — EP disclosed
US-6171614-B1 REDUCTIVE AMINATION; LIPOSOMES EMORY UNIVERSITY 2001-01-09 — — US disclosed
US-6071532-A SYNTHETIC VACCINES; IMMUNOLOGY; MEDICAL DIAGNOSIS EMORY UNIVERSITY (US) 2000-06-06 — — US disclosed
US-5922860-A Antitumor indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 — — US disclosed
US-5804564-A Antitumor indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-09-08 — — US disclosed
EP-0760375-A1 ANTITUMOR INDOLOPYPROLOCARBAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-05 — — EP disclosed
US-5354853-A Phospholipid-saccharide conjugates GENZYME CORPORATION (US) 1994-10-11 — — 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-20030080320-A1 Alpha- haloenamine reagents HNMT, HDHD5, NISCH BCHE 112/4885ACHE 119/4885HTR1A 1136/4885
US-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH BCHE 112/4885ACHE 119/4885HTR1A 1136/4885

“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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