SCHEMBL6574513

SCHEMBL6574513

C=CC[Si](CC=C)(CC=C)NCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
EPHX1 P07099 6/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH7 P40394 2/20 0.37
ADH4 P08319 1/20 0.37
FAAH O00519 1/20 0.32

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
SCHEMBL25168564 0.84 TSHR (0.33) TSHRALDH1A1
SCHEMBL11361562 0.74 TSHR (0.30) TSHR
SCHEMBL28659093 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28659266 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28659270 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28669049 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28648780 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28671496 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28649716 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL27104136 0.72 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C

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-6696568-B2 PARKINSON'S DISEASE FINETECH LTD. (IL) 2004-02-24 US claimed
EP-1379526-A1 PROCESS AND INTERMEDIATES FOR PRODUCTION OF CABERGOLINE AND RELATED COMPOUNDS Finetech Laboratories Ltd. (IL) 2004-01-14 EP claimed
US-20020177709-A1 Novel process and intermediates for production of cabergoline and related compounds FINETECH PHARMACEUTICAL LTD. (IL) 2002-11-28 US claimed
WO-2002085902-A1 PROCESS AND INTERMEDIATES FOR PRODUCTION OF CABERGOLINE AND RELATED COMPOUNDS FINETECH LABORATORIES LTD. (IL) 2002-10-31 WO claimed
EP-1379526-A1 PROCESS AND INTERMEDIATES FOR PRODUCTION OF CABERGOLINE AND RELATED COMPOUNDS Finetech Laboratories Ltd. (IL) 2004-01-14 EP disclosed
US-20020177709-A1 Novel process and intermediates for production of cabergoline and related compounds FINETECH PHARMACEUTICAL LTD. (IL) 2002-11-28 US disclosed
WO-2002085902-A1 PROCESS AND INTERMEDIATES FOR PRODUCTION OF CABERGOLINE AND RELATED COMPOUNDS FINETECH LABORATORIES LTD. (IL) 2002-10-31 WO disclosed
EP-0729488-A1 POLYKETONE POLYMER COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-09-04 EP disclosed
US-5486581-A IODIDE SALTS SHELL OIL COMPANY (US) 1996-01-23 US disclosed
WO-1995014056-A1 POLYKETONE POLYMER COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-26 WO disclosed
US-4658062-A Amine terminated polybutadiene compositions and preparation thereof ATLANTIC RICHFIELD COMPANY (US) 1987-04-14 US disclosed
EP-0206714-A1 Process for the preparation of an amine terminated polybutadiene ELF ATOCHEM S.A. (FR) 1986-12-30 EP 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 (1 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-20020177709-A1 Novel process and intermediates for production of cabergoline and related compounds NR5A1, ADCY5, GNRHR TSHR 426/4885ALDH1A1 2658/4885ZDHHC20 4299/4885

“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.